Determine the necessary mass, volume, or concentration for preparing a solution.
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Moligand™, ≥98% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 9 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Cefazolin (Cephazolin) is a first-generation cephalosporin antibiotic and can be used in varieties of bacterial infections research[1]. Cefazolin has anti-inflammatory effect and can attenuate post-operative cognitive dysfunction (POCD).
| pKa | pKa: 2.6 (Predicted), pKa: 0.45 (Predicted) |
|---|---|
| Ki Data | OAT1: Ki= 180 nM (human); OAT3: Ki= 550 nM (human); SLC22A11: Ki= 1.74 μM (human); Solute carrier family 22 member 6: Ki= 450 μM (rat); Solute carrier family 22 member 8: Ki= 780 μM (rat) |
| Pubchem Sid | 488183217 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488183217 |
| Canonical Smiles | CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O |
| IUPAC Name | (6R,7R)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-8-oxo-7-[[2-(tetrazol-1-yl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
| InChIKey | MLYYVTUWGNIJIB-BXKDBHETSA-N |
| INCHI | 1S/C14H14N8O4S3/c1-6-17-18-14(29-6)28-4-7-3-27-12-9(11(24)22(12)10(7)13(25)26)16-8(23)2-21-5-15-19-20-21/h5,9,12H,2-4H2,1H3,(H,16,23)(H,25,26)/t9-,12-/m1/s1 |
| Isomeric SMILES | CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)O |
| RTECS | XI0389900 |
| Molecular Weight | 454.51 |
| Beilstein | 4169371 |
| Reaxy-Rn | 634703 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=634703&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Lactams |
| Subclass | Beta lactams |
| Intermediate Tree Nodes | Cephems |
| Direct Parent | Cephalosporins |
| Alternative Parents | N-acyl-alpha amino acids and derivatives Alkylarylthioethers 1,3-thiazines Thiadiazoles Tetrazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azetidines Thiohemiaminal derivatives Sulfenyl compounds Azacyclic compounds Carboxylic acids Dialkylthioethers Monocarboxylic acids and derivatives Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Cephalosporin - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Heteroaromatic compound - Tertiary carboxylic acid amide - Tetrazole - Thiadiazole - Azetidine - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Dialkylthioether - Sulfenyl compound - Hemithioaminal - Thioether - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as cephalosporins. These are compounds containing a 1,2-thiazine fused to a 2-azetidinone to for a oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid moiety or a derivative thereof. |
| External Descriptors | Cephems |
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Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
| Certificate of Analysis | Sep 07, 2026 | C336103 | |
| Certificate of Analysis | Sep 07, 2026 | C336103 | |
| Certificate of Analysis | Mar 27, 2026 | C336103 | |
| Certificate of Analysis | Mar 27, 2026 | C336103 | |
| Certificate of Analysis | Mar 27, 2026 | C336103 | |
| Certificate of Analysis | Mar 27, 2026 | C336103 | |
| Certificate of Analysis | Nov 22, 2023 | C336103 | |
| Certificate of Analysis | Nov 22, 2023 | C336103 | |
| Certificate of Analysis | Nov 22, 2023 | C336103 | |
| Certificate of Analysis | Nov 22, 2023 | C336103 | |
| Certificate of Analysis | Nov 22, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 | |
| Certificate of Analysis | Feb 16, 2023 | C336103 |
| Solubility | Soluble in DMF, pyridine, aqueous acetone, and aqueous ethanol. Insoluble in water. |
|---|---|
| Sensitivity | Moisture sensitive |
| Refractive Index | n20D1.96 (Predicted) |
| Melt Point(°C) | 197.8-200° C (dec.) |
| Molecular Weight | 454.500 g/mol |
| XLogP3 | -0.400 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 7 |
| Exact Mass | 454.03 Da |
| Monoisotopic Mass | 454.03 Da |
| Topological Polar Surface Area | 235.000 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 740.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Our grade selection guide covers purity, stabilizer status, and application suitability for all variants in our catalog.
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