Tolmetin glucuronide
TL;DR: Tolmetin glucuronide (CAS 71595-19-2) is a chemical compound with molecular formula C21H23NO9 and molecular weight 433.14 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-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]oxyoxane-2-carboxylic acid
Also Known As: Tolmetin glucuronide, Tolmetin b-D-Glucuronide, TOLMETIN BETA-D-GLUCURONIDE, Tolmetin, A-D-Glucuronide
| Molecular Formula | C21H23NO9 |
|---|---|
| Molecular Weight | 433.14 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 433.13727 |
| Heavy Atoms | 31 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 71595-19-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
| InChIKey | MEFIGCPEYJZFFC-ZFORQUDYSA-N |
Product Overview
Tolmetin glucuronide (CAS 71595-19-2), with molecular formula C21H23NO9 and molecular weight 433.14 g/mol. IUPAC: (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[1-methyl-5-(4-methylbenzoyl)pyrrol-2-yl]acetyl]oxyoxane-2-carboxylic acid.
Chemical Property Profile of Tolmetin glucuronide
Property Insights of Tolmetin glucuronide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tolmetin glucuronide. The TPSA of 156.0 Ų indicates high polarity, suggesting Tolmetin glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Tolmetin glucuronide has 4 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 Tolmetin glucuronide?
The CAS number of Tolmetin glucuronide is 71595-19-2.
What is the molecular formula of Tolmetin glucuronide?
The molecular formula of Tolmetin glucuronide is C21H23NO9.
What is the molecular weight of Tolmetin glucuronide?
The molecular weight of Tolmetin glucuronide is 433.14 g/mol.
Where can I buy Tolmetin glucuronide?
You can request a quote for Tolmetin glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tolmetin glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Tolmetin glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.