2-chloro-N-(1,2,4-triazol-4-yl)benzamide
TL;DR: 2-chloro-N-(1,2,4-triazol-4-yl)benzamide (CAS 64868-71-9) is a chemical compound with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: SDCCGMLS-0064558.P001, 2-chloro-N-(1,2,4-triazol-4-yl)benzamide, BIM-0030962.P001, 2-chloro-N-(4H-1,2,4-triazol-4-yl)benzamide, 2-chloro-N-4H-1,2,4-triazol-4-ylbenzamide
| Molecular Formula | C9H7ClN4O |
|---|---|
| Molecular Weight | 222.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 59.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.03084 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 64868-71-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NN2C=NN=C2)Cl |
| InChIKey | UBXBNHYVBQGVLX-UHFFFAOYSA-N |
Product Overview
2-chloro-N-(1,2,4-triazol-4-yl)benzamide (CAS 64868-71-9), with molecular formula C9H7ClN4O and molecular weight 222.03 g/mol. IUPAC: 2-chloro-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide
Property Insights of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide. With a topological polar surface area (TPSA) of 59.8 Ų, 2-chloro-N-(1,2,4-triazol-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(1,2,4-triazol-4-yl)benzamide has 1 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 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The CAS number of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide is 64868-71-9.
What is the molecular formula of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular formula of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide is C9H7ClN4O.
What is the molecular weight of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
The molecular weight of 2-chloro-N-(1,2,4-triazol-4-yl)benzamide is 222.03 g/mol.
Where can I buy 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
You can request a quote for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.