N-Glucuronide-triclocarban
TL;DR: N-Glucuronide-triclocarban (CAS 67200-80-0) is a chemical compound with molecular formula C19H17Cl3N2O7 and molecular weight 490.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6R)-6-[3,4-dichloro-N-[(4-chlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: N-Glucuronide-triclocarban, beta-D-Glucopyranuronic acid, 1-((((4-chlorophenyl)amino)carbonyl)(3,4-dichlorophenyl)amino)-1-deoxy-, N-[(4-Chlorophenyl)carbamoyl]-N-(3,4-dichlorophenyl)-beta-D-glucopyranuronosylamine, (2S,3S,4S,5R,6R)-6-[3,4-dichloro-N-[(4-chlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid, .BETA.-D-GLUCOPYRANURONIC ACID, 1-((((4-CHLOROPHENYL)AMINO)CARBONYL)(3,4-DICHLOROPHENYL)AMINO)-1-DEOXY-
| Molecular Formula | C19H17Cl3N2O7 |
|---|---|
| Molecular Weight | 490.01 g/mol |
| LogP | 2.5775 |
| Topological Polar Surface Area | 139.56 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.01013 |
| Heavy Atoms | 31 |
| Complexity | 975.4738 |
Chemical Identifiers
| CAS Number | 67200-80-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C3=CC(=C(C=C3)Cl)Cl)Cl |
Product Overview
N-Glucuronide-triclocarban (CAS 67200-80-0), with molecular formula C19H17Cl3N2O7 and molecular weight 490.01 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[3,4-dichloro-N-[(4-chlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of N-Glucuronide-triclocarban
Property Insights of N-Glucuronide-triclocarban
The XLogP value of 2.5775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Glucuronide-triclocarban. The TPSA of 139.56 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Glucuronide-triclocarban. Following Lipinski's Rule of Five, N-Glucuronide-triclocarban has 5 hydrogen bond donor(s) and 6 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 N-Glucuronide-triclocarban?
The CAS number of N-Glucuronide-triclocarban is 67200-80-0.
What is the molecular formula of N-Glucuronide-triclocarban?
The molecular formula of N-Glucuronide-triclocarban is C19H17Cl3N2O7.
What is the molecular weight of N-Glucuronide-triclocarban?
The molecular weight of N-Glucuronide-triclocarban is 490.01 g/mol.
Where can I buy N-Glucuronide-triclocarban?
You can request a quote for N-Glucuronide-triclocarban directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Glucuronide-triclocarban?
Yes, KEHONG BIO provides custom synthesis services for N-Glucuronide-triclocarban and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.