Carbamazepine glucuronide
TL;DR: Carbamazepine glucuronide (CAS 60342-79-2) is a chemical compound with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R)-6-(benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Carbamazepine glucuronide, Carbamazepine N-Glucuronide, (2S,3S,4S,5R)-6-(benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid, n-(5h-dibenzo[b,f]azepin-5-ylcarbonyl)-d-glucopyranuronosylamine, beta-D-Glucopyranuronic acid, 1-deoxy-1-[(5H-dibenz[b,f]azepin-5-ylcarbonyl)amino]-
| Molecular Formula | C21H20N2O7 |
|---|---|
| Molecular Weight | 412.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 140.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.12704 |
| Heavy Atoms | 30 |
| Complexity | 660.0 |
Chemical Identifiers
| CAS Number | 60342-79-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)NC4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O |
| InChIKey | VKZWFMGCAPKSML-BMMZCLLGSA-N |
Product Overview
Carbamazepine glucuronide (CAS 60342-79-2), with molecular formula C21H20N2O7 and molecular weight 412.13 g/mol. IUPAC: (2S,3S,4S,5R)-6-(benzo[b][1]benzazepine-11-carbonylamino)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Carbamazepine glucuronide
Property Insights of Carbamazepine glucuronide
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Carbamazepine glucuronide. The TPSA of 140.0 Ų indicates high polarity, suggesting Carbamazepine glucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Carbamazepine glucuronide has 5 hydrogen bond donor(s) and 7 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 Carbamazepine glucuronide?
The CAS number of Carbamazepine glucuronide is 60342-79-2.
What is the molecular formula of Carbamazepine glucuronide?
The molecular formula of Carbamazepine glucuronide is C21H20N2O7.
What is the molecular weight of Carbamazepine glucuronide?
The molecular weight of Carbamazepine glucuronide is 412.13 g/mol.
Where can I buy Carbamazepine glucuronide?
You can request a quote for Carbamazepine glucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamazepine glucuronide?
Yes, KEHONG BIO provides custom synthesis services for Carbamazepine glucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.