N-1H-Benzotriazol-6-yl-3-chlorobenzamide
TL;DR: N-1H-Benzotriazol-6-yl-3-chlorobenzamide (CAS 216985-32-9) is a chemical compound with molecular formula C13H9ClN4O and molecular weight 272.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2H-benzotriazol-5-yl)-3-chlorobenzamide
Also Known As: Maybridge3_000240, N-1H-Benzotriazol-6-yl-3-chlorobenzamide, IDI1_011627, N-(1H-Benzotriazol-5-yl)-3-chlorobenzamide, N-(2H-benzotriazol-5-yl)-3-chlorobenzamide
| Molecular Formula | C13H9ClN4O |
|---|---|
| Molecular Weight | 272.05 g/mol |
| LogP | 2.8636 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.04648 |
| Heavy Atoms | 19 |
| Complexity | 752.99286 |
Chemical Identifiers
| CAS Number | 216985-32-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)C(=O)NC2=CC3=NNN=C3C=C2 |
Product Overview
N-1H-Benzotriazol-6-yl-3-chlorobenzamide (CAS 216985-32-9), with molecular formula C13H9ClN4O and molecular weight 272.05 g/mol. IUPAC: N-(2H-benzotriazol-5-yl)-3-chlorobenzamide.
Chemical Property Profile of N-1H-Benzotriazol-6-yl-3-chlorobenzamide
Property Insights of N-1H-Benzotriazol-6-yl-3-chlorobenzamide
The XLogP value of 2.8636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-1H-Benzotriazol-6-yl-3-chlorobenzamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-1H-Benzotriazol-6-yl-3-chlorobenzamide. Following Lipinski's Rule of Five, N-1H-Benzotriazol-6-yl-3-chlorobenzamide has 2 hydrogen bond donor(s) and 3 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-1H-Benzotriazol-6-yl-3-chlorobenzamide?
The CAS number of N-1H-Benzotriazol-6-yl-3-chlorobenzamide is 216985-32-9.
What is the molecular formula of N-1H-Benzotriazol-6-yl-3-chlorobenzamide?
The molecular formula of N-1H-Benzotriazol-6-yl-3-chlorobenzamide is C13H9ClN4O.
What is the molecular weight of N-1H-Benzotriazol-6-yl-3-chlorobenzamide?
The molecular weight of N-1H-Benzotriazol-6-yl-3-chlorobenzamide is 272.05 g/mol.
Where can I buy N-1H-Benzotriazol-6-yl-3-chlorobenzamide?
You can request a quote for N-1H-Benzotriazol-6-yl-3-chlorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-1H-Benzotriazol-6-yl-3-chlorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-1H-Benzotriazol-6-yl-3-chlorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.