![3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide structure](/static/products/6966/696605-85-3.webp)
3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide
TL;DR: 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide (CAS 696605-85-3) is a chemical compound with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide
Also Known As: 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide, A3565/0151222, 3-chloro-N-[(3,5-dimethyl-4H-1,2,4-triazol-4-yl)carbamoyl]benzamide, N-(3-CHLOROBENZOYL)-N'-(3,5-DIMETHYL-4H-1,2,4-TRIAZOL-4-YL)UREA
| Molecular Formula | C12H12ClN5O2 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 1.64184 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.06796 |
| Heavy Atoms | 20 |
| Complexity | 648.1173 |
Chemical Identifiers
| CAS Number | 696605-85-3 |
|---|---|
| SMILES | CC1=NN=C(N1NC(=O)NC(=O)C2=CC(=CC=C2)Cl)C |
Product Overview
3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide (CAS 696605-85-3), with molecular formula C12H12ClN5O2 and molecular weight 293.07 g/mol. IUPAC: 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide.
Chemical Property Profile of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide
Property Insights of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide
The XLogP value of 1.64184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide. Following Lipinski's Rule of Five, 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide has 2 hydrogen bond donor(s) and 4 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 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide?
The CAS number of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide is 696605-85-3.
What is the molecular formula of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide?
The molecular formula of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide is C12H12ClN5O2.
What is the molecular weight of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide?
The molecular weight of 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide is 293.07 g/mol.
Where can I buy 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide?
You can request a quote for 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-[(3,5-dimethyl-1,2,4-triazol-4-yl)carbamoyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.