[(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate - ≥98% , CAS No.167173-85-5

CAS: 167173-85-5 Cat. No.: S996401 EC Number: 844-009-5 PubChem CID: 468590
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Storage
Room temperature
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
20mg
S996401-20mg
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$1,005.90
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Specifications & Purity
≥98%
Storage
Room temperature
Action Type
INHIBITOR
Purity
≥98%
Names and Identifiers
Canonical SmilesCC1C(C(C(=O)OCC(C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C
IUPAC Name[(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
InChIKeyMLGCATYQZVMGBG-PBWVOLNLSA-N
INCHI1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
Isomeric SMILES C[C@H]1[C@@H]([C@H](C(=O)OC[C@@H](C(=O)O1)NC(=O)C2=NC=CC(=C2O)OC)CC3=CC=CC=C3)OC(=O)C(C)C
Alternate CAS 167173-85-5
PubChem CID 468590
MeSH Entry Terms fenpicoxamid;UK 2A;UK-2A

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentN-acyl-alpha amino acids and derivatives
Alternative Parents Alpha amino acid esters  Tricarboxylic acids and derivatives  Pyridinecarboxylic acids and derivatives  2-heteroaryl carboxamides  Alkyl aryl ethers  Hydroxypyridines  Benzene and substituted derivatives  Heteroaromatic compounds  Vinylogous acids  Lactones  Carboxylic acid esters  Secondary carboxylic acid amides  Azacyclic compounds  Oxacyclic compounds  Organic oxides  Organopnictogen compounds  Hydrocarbon derivatives  Carbonyl compounds  Organonitrogen compounds  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Alpha-amino acid ester - N-acyl-alpha amino acid or derivatives - Pyridine carboxylic acid or derivatives - Tricarboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Hydroxypyridine - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous acid - Carboxamide group - Carboxylic acid ester - Lactone - Secondary carboxylic acid amide - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight514.500 g/mol
XLogP33.600
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass514.195 Da
Monoisotopic Mass514.195 Da
Topological Polar Surface Area150.000 Ų
Heavy Atom Count37
Formal Charge0
Complexity814.000
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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