N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
TL;DR: N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide (CAS 431940-75-9) is a chemical compound with molecular formula C9H6ClIN4O and molecular weight 347.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: AB00118638-01, AN-465/40811368, N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide, N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-3-carboxamide
| Molecular Formula | C9H6ClIN4O |
|---|---|
| Molecular Weight | 347.93 g/mol |
| LogP | 2.315 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 347.9275 |
| Heavy Atoms | 16 |
| Complexity | 514.2325 |
Chemical Identifiers
| CAS Number | 431940-75-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1I)Cl)NC(=O)C2=NC=NN2 |
Product Overview
N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide (CAS 431940-75-9), with molecular formula C9H6ClIN4O and molecular weight 347.93 g/mol. IUPAC: N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
Property Insights of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
The XLogP value of 2.315 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide. Following Lipinski's Rule of Five, N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide 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-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide?
The CAS number of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide is 431940-75-9.
What is the molecular formula of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular formula of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide is C9H6ClIN4O.
What is the molecular weight of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide?
The molecular weight of N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide is 347.93 g/mol.
Where can I buy N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide?
You can request a quote for N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-chloro-4-iodophenyl)-1H-1,2,4-triazole-5-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.