2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
TL;DR: 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide (CAS 697237-39-1) is a chemical compound with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-N-(2-methoxyethyl)-5-(1,2,4-triazol-4-yl)benzamide
Also Known As: 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide, 2-chloro-N-(2-methoxyethyl)-5-(1,2,4-triazol-4-yl)benzamide, AN-465/42834299, A3628/0153887
| Molecular Formula | C12H13ClN4O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 1.2969 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 280.0727 |
| Heavy Atoms | 19 |
| Complexity | 556.86194 |
Chemical Identifiers
| CAS Number | 697237-39-1 |
|---|---|
| SMILES | COCCNC(=O)C1=C(C=CC(=C1)N2C=NN=C2)Cl |
Product Overview
2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide (CAS 697237-39-1), with molecular formula C12H13ClN4O2 and molecular weight 280.07 g/mol. IUPAC: 2-chloro-N-(2-methoxyethyl)-5-(1,2,4-triazol-4-yl)benzamide.
Chemical Property Profile of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
Property Insights of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide
The XLogP value of 1.2969 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide. Following Lipinski's Rule of Five, 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide has 1 hydrogen bond donor(s) and 4 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-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide?
The CAS number of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide is 697237-39-1.
What is the molecular formula of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular formula of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide is C12H13ClN4O2.
What is the molecular weight of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide?
The molecular weight of 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide is 280.07 g/mol.
Where can I buy 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide?
You can request a quote for 2-chloro-N-(2-methoxyethyl)-5-(4H-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-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-methoxyethyl)-5-(4H-1,2,4-triazol-4-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.