N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 695198-79-9) is a chemical compound with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide, N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide, A3315/0140918, 1H-1,2,4-triazol-3-yl-N-(3,4,5-trimethoxyphenyl)carboxamide
| Molecular Formula | C12H14N4O4 |
|---|---|
| Molecular Weight | 278.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.1015 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 695198-79-9 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)NC(=O)C2=NC=NN2 |
| InChIKey | SBUYAXLHEDSVIU-UHFFFAOYSA-N |
Product Overview
N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 695198-79-9), with molecular formula C12H14N4O4 and molecular weight 278.10 g/mol. IUPAC: N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide has 2 hydrogen bond donor(s) and 6 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-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide is 695198-79-9.
What is the molecular formula of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide is C12H14N4O4.
What is the molecular weight of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide is 278.10 g/mol.
Where can I buy N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.