beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)
TL;DR: beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) (CAS 102623-18-7) is a chemical compound with molecular formula C21H23NO8 and molecular weight 417.14 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-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Mefenamic acid glucuronide, Mefenamic acid-glucuronide, Mefenamic Acyl-, A-D-glucuronide, Mefenamic Acyl-beta-D-glucuronide
| Molecular Formula | C21H23NO8 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 146.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 417.14236 |
| Heavy Atoms | 30 |
| Complexity | 616.0 |
Chemical Identifiers
| CAS Number | 102623-18-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O)C |
| InChIKey | DAHIGOGKMFBIOR-CURYNPBISA-N |
Product Overview
beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) (CAS 102623-18-7), with molecular formula C21H23NO8 and molecular weight 417.14 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[2-(2,3-dimethylanilino)benzoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)
Property Insights of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate). The TPSA of 146.0 Ų indicates high polarity, suggesting beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)?
The CAS number of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) is 102623-18-7.
What is the molecular formula of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)?
The molecular formula of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) is C21H23NO8.
What is the molecular weight of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)?
The molecular weight of beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) is 417.14 g/mol.
Where can I buy beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)?
You can request a quote for beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate)?
Yes, KEHONG BIO provides custom synthesis services for beta-D-Glucopyranuronic acid, 1-(2-((2,3-dimethylphenyl)amino)benzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.