methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate
TL;DR: methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate (CAS 326616-49-3) is a chemical compound with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate
Also Known As: methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate, 3-(pivaloylamino)-1H-1,2,4-triazole-5-carboxylic acid methyl ester, methyl 5-(2,2-dimethylpropanamido)-1H-1,2,4-triazole-3-carboxylate, 3-[(2,2-dimethyl-1-oxopropyl)amino]-1H-1,2,4-triazole-5-carboxylic acid methyl ester
| Molecular Formula | C9H14N4O3 |
|---|---|
| Molecular Weight | 226.11 g/mol |
| LogP | 0.5759 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 226.1066 |
| Heavy Atoms | 16 |
| Complexity | 405.13174 |
Chemical Identifiers
| CAS Number | 326616-49-3 |
|---|---|
| SMILES | CC(C)(C)C(=O)NC1=NNC(=N1)C(=O)OC |
Product Overview
methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate (CAS 326616-49-3), with molecular formula C9H14N4O3 and molecular weight 226.11 g/mol. IUPAC: methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate.
Chemical Property Profile of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate
Property Insights of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate
The XLogP value of 0.5759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate has 2 hydrogen bond donor(s) and 5 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 methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate?
The CAS number of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate is 326616-49-3.
What is the molecular formula of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate?
The molecular formula of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate is C9H14N4O3.
What is the molecular weight of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate?
The molecular weight of methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate is 226.11 g/mol.
Where can I buy methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate?
You can request a quote for methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2,2-dimethylpropanoylamino)-1H-1,2,4-triazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.