N'-Glucuronide-triclocarban
TL;DR: N'-Glucuronide-triclocarban (CAS 67200-81-1) 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-[4-chloro-N-[(3,4-dichlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: N'-Glucuronide-triclocarban, beta-D-Glucopyranuronic acid, 1-((4-chlorophenyl)(((3,4-dichlorophenyl)amino)carbonyl)amino)-1-deoxy-, 3,7-Dihydro-1H-purine-2,6-dione, monopotassium salt, (2S,3S,4S,5R,6R)-6-[(4-chlorophenyl)-[(3,4-dichlorophenyl)carbamoyl]amino]-3,4,5-trihydroxy-oxane-2-carboxylic acid, (2S,3S,4S,5R,6R)-6-[4-chloro-N-[(3,4-dichlorophenyl)carbamoyl]anilino]-3,4,5-trihydroxyoxane-2-carboxylic acid
| 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 | 67200-81-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C(=O)NC3=CC(=C(C=C3)Cl)Cl)Cl |
Product Overview
N'-Glucuronide-triclocarban (CAS 67200-81-1), with molecular formula C19H17Cl3N2O7 and molecular weight 490.01 g/mol. IUPAC: (2S,3S,4S,5R,6R)-6-[4-chloro-N-[(3,4-dichlorophenyl)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 67200-81-1.
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.