2-Toluic acid glucuronide
TL;DR: 2-Toluic acid glucuronide (CAS 74389-92-7) is a chemical compound with molecular formula C14H16O8 and molecular weight 312.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methylbenzoyl)oxyoxane-2-carboxylic acid
Also Known As: 2-Toluic acid glucuronide, o-Toluic acid glucuronide, 2-Methylbenzoic acid glucuronide, 1-O-(2-Methylbenzoyl)hexopyranuronic acid, beta-D-Glucopyranuronic acid, 1-(2-methylbenzoate)
| Molecular Formula | C14H16O8 |
|---|---|
| Molecular Weight | 312.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.0845 |
| Heavy Atoms | 22 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 74389-92-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O |
| InChIKey | WZYNSYXZYYCDLC-JVWRJRKNSA-N |
Product Overview
2-Toluic acid glucuronide (CAS 74389-92-7), with molecular formula C14H16O8 and molecular weight 312.08 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methylbenzoyl)oxyoxane-2-carboxylic acid.
Chemical Property Profile of 2-Toluic acid glucuronide
Property Insights of 2-Toluic acid glucuronide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Toluic acid glucuronide. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Toluic acid glucuronide. Following Lipinski's Rule of Five, 2-Toluic acid glucuronide has 4 hydrogen bond donor(s) and 8 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 2-Toluic acid glucuronide?
The CAS number of 2-Toluic acid glucuronide is 74389-92-7.
What is the molecular formula of 2-Toluic acid glucuronide?
The molecular formula of 2-Toluic acid glucuronide is C14H16O8.
What is the molecular weight of 2-Toluic acid glucuronide?
The molecular weight of 2-Toluic acid glucuronide is 312.08 g/mol.
Where can I buy 2-Toluic acid glucuronide?
You can request a quote for 2-Toluic acid glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Toluic acid glucuronide?
Yes, KEHONG BIO provides custom synthesis services for 2-Toluic acid glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.