3-iodo-N-(1,2,4-triazol-4-yl)benzamide
TL;DR: 3-iodo-N-(1,2,4-triazol-4-yl)benzamide (CAS 331434-07-2) 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.
3-iodo-N-(1,2,4-triazol-4-yl)benzamide
Also Known As: BAS 00406681, 3-iodo-N-(1,2,4-triazol-4-yl)benzamide, 3-Iodo-N-[1,2,4]triazol-4-yl-benzamide, 3-iodo-N-(4H-1,2,4-triazol-4-yl)benzamide
| Molecular Formula | C9H7IN4O |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 1.2666 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.96646 |
| Heavy Atoms | 15 |
| Complexity | 468.7244 |
Chemical Identifiers
| CAS Number | 331434-07-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C(=O)NN2C=NN=C2 |
Product Overview
3-iodo-N-(1,2,4-triazol-4-yl)benzamide (CAS 331434-07-2), with molecular formula C9H7IN4O and molecular weight 313.97 g/mol. IUPAC: 3-iodo-N-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide
Property Insights of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide
The XLogP value of 1.2666 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-iodo-N-(1,2,4-triazol-4-yl)benzamide. With a topological polar surface area (TPSA) of 59.81 Ų, 3-iodo-N-(1,2,4-triazol-4-yl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-iodo-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 3-iodo-N-(1,2,4-triazol-4-yl)benzamide?
The CAS number of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide is 331434-07-2.
What is the molecular formula of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide?
The molecular formula of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide is C9H7IN4O.
What is the molecular weight of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide?
The molecular weight of 3-iodo-N-(1,2,4-triazol-4-yl)benzamide is 313.97 g/mol.
Where can I buy 3-iodo-N-(1,2,4-triazol-4-yl)benzamide?
You can request a quote for 3-iodo-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 3-iodo-N-(1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-iodo-N-(1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.