1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid
TL;DR: 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid (CAS 1859-41-2) is a chemical compound with molecular formula C21H21NO10 and molecular weight 447.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[2-(3-carboxy-2-methylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Carboxymefenamic acid glucuronide, 3-Carboxy Mefenamic Acid Acyl-beta-D-glucuronide, 3-Carboxy Mefenamic Acid Acyl-b-D-glucuronide, 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid, 3-Carboxy Mefenamic Acid Acyl-?-D-glucuronide
| Molecular Formula | C21H21NO10 |
|---|---|
| Molecular Weight | 447.12 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.11655 |
| Heavy Atoms | 32 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 1859-41-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C(=O)O |
| InChIKey | QTCMFDMVQUHRND-QYRAFCHESA-N |
Product Overview
1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid (CAS 1859-41-2), with molecular formula C21H21NO10 and molecular weight 447.12 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-(3-carboxy-2-methylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid
Property Insights of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid. The TPSA of 183.0 Ų indicates high polarity, suggesting 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid has 6 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid?
The CAS number of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid is 1859-41-2.
What is the molecular formula of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid?
The molecular formula of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid is C21H21NO10.
What is the molecular weight of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid?
The molecular weight of 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid is 447.12 g/mol.
Where can I buy 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid?
You can request a quote for 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-O-(2-(3-Carboxy-2-methylphenyl)aminobenzoyl)glucopyranuronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.