1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester
TL;DR: 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester (CAS 70965-27-4) is a chemical compound with molecular formula C7H10N4O4 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetate
Also Known As: BAS 01173347, ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetate, 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester, Ethyl (5-methyl-3-nitro-1H-1,2,4-triazol-1-yl)acetate, (5-Methyl-3-nitro-[1,2,4]triazol-1-yl)-acetic acid ethyl ester
| Molecular Formula | C7H10N4O4 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 0.05782 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.0702 |
| Heavy Atoms | 15 |
| Complexity | 386.34195 |
Chemical Identifiers
| CAS Number | 70965-27-4 |
|---|---|
| SMILES | CCOC(=O)CN1C(=NC(=N1)[N+](=O)[O-])C |
Product Overview
1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester (CAS 70965-27-4), with molecular formula C7H10N4O4 and molecular weight 214.07 g/mol. IUPAC: ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetate.
Chemical Property Profile of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester
Property Insights of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester
The XLogP value of 0.05782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester has 0 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 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester?
The CAS number of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester is 70965-27-4.
What is the molecular formula of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester?
The molecular formula of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester is C7H10N4O4.
What is the molecular weight of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester?
The molecular weight of 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester is 214.07 g/mol.
Where can I buy 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester?
You can request a quote for 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester 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-1-acetic acid, 5-methyl-3-nitro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.