≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Protected from light,Argon charged 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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCCC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C |
|---|---|
| IUPAC Name | (2S)-4-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid |
| InChIKey | HEAUFWFESGQUMX-MHZLTWQESA-N |
| INCHI | 1S/C33H38N4O7S/c1-18-19(2)29(20(3)25-16-33(4,5)44-28(18)25)45(41,42)37-31(34)35-15-14-27(30(38)39)36-32(40)43-17-26-23-12-8-6-10-21(23)22-11-7-9-13-24(22)26/h6-13,26-27H,14-17H2,1-5H3,(H,36,40)(H,38,39)(H3,34,35,37)/t27-/m0/s1 |
| Isomeric SMILES | CC1=C(C(=C(C2=C1OC(C2)(C)C)C)S(=O)(=O)NC(=NCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C |
| PubChem CID | 86810469 |
| Molecular Weight | 634.7 |
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 | Benzenoids |
| Class | Fluorenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Fluorenes |
| Alternative Parents | Alpha amino acids and derivatives Coumarans Alkyl aryl ethers Organosulfonic acids and derivatives Carbamate esters Aminosulfonyl compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Fluorene - Alpha-amino acid or derivatives - Coumaran - Alkyl aryl ether - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Guanidine - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid - Ether - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as fluorenes. These are compounds containing a fluorene moiety, which consists of two benzene rings connected through either a cyclopentane, cyclopentene, or cyclopenta-1,3-diene. |
| External Descriptors | Not available |
| Molecular Weight | 634.700 g/mol |
|---|---|
| XLogP3 | 4.700 |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 11 |
| Exact Mass | 634.246 Da |
| Monoisotopic Mass | 634.246 Da |
| Topological Polar Surface Area | 178.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1200.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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 |
