![1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide structure](/static/products/5730/5730-25-6.webp)
1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide
TL;DR: 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide (CAS 5730-25-6) is a chemical compound with molecular formula C9H7IN4O and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-(2-Iodophenyl)-1H-1,2,4-triazole-3-carboxamide, BAS 01048238, BIM-0029617.P001, N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide, 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide
| Molecular Formula | C9H7IN4O |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.96646 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 5730-25-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC(=O)C2=NC=NN2)I |
| InChIKey | WNLXFLPJOOUVBC-UHFFFAOYSA-N |
Product Overview
1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide (CAS 5730-25-6), with molecular formula C9H7IN4O and molecular weight 313.97 g/mol. IUPAC: N-(2-iodophenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide
Property Insights of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide. Following Lipinski's Rule of Five, 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide 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 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide?
The CAS number of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide is 5730-25-6.
What is the molecular formula of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide?
The molecular formula of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide is C9H7IN4O.
What is the molecular weight of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide?
The molecular weight of 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide is 313.97 g/mol.
Where can I buy 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide?
You can request a quote for 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide?
Yes, KEHONG BIO provides custom synthesis services for 1H-[1,2,4]Triazole-3-carboxylic acid (2-iodo-phenyl)-amide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.