2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
TL;DR: 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide (CAS 302804-90-6) is a chemical compound with molecular formula C9H5Cl3N4O and molecular weight 289.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
Also Known As: 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide, 2,3,6-trichloro-N-(4H-1,2,4-triazol-3-yl)benzamide, 2,3,6-trichloro-N-(1H-1,2,4-triazol-3-yl)benzamide, N-(4H-1,2,4-triazol-3-yl)(2,3,6-trichlorophenyl)carboxamide
| Molecular Formula | C9H5Cl3N4O |
|---|---|
| Molecular Weight | 289.95 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 70.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.95288 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 302804-90-6 |
|---|---|
| SMILES | C1=CC(=C(C(=C1Cl)C(=O)NC2=NC=NN2)Cl)Cl |
| InChIKey | KBDDCRNUQDKWIA-UHFFFAOYSA-N |
Product Overview
2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide (CAS 302804-90-6), with molecular formula C9H5Cl3N4O and molecular weight 289.95 g/mol. IUPAC: 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide.
Chemical Property Profile of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
Property Insights of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide
The XLogP value of 3.0 indicates that 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide. Following Lipinski's Rule of Five, 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide 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 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The CAS number of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide is 302804-90-6.
What is the molecular formula of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The molecular formula of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide is C9H5Cl3N4O.
What is the molecular weight of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The molecular weight of 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide is 289.95 g/mol.
Where can I buy 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
You can request a quote for 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6-trichloro-N-(1H-1,2,4-triazol-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.