methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate
TL;DR: methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate (CAS 338405-78-0) is a chemical compound with molecular formula C7H10N4O2 and molecular weight 182.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-amino-4-(1,2,4-triazol-1-yl)but-2-enoate
Also Known As: methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)-2-butenoate, methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate, Methyl 3-amino-4-(1,2,4-triazol-1-yl)but-2-enoate
| Molecular Formula | C7H10N4O2 |
|---|---|
| Molecular Weight | 182.08 g/mol |
| LogP | -0.7063 |
| Topological Polar Surface Area | 83.03 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.08037 |
| Heavy Atoms | 13 |
| Complexity | 304.30225 |
Chemical Identifiers
| CAS Number | 338405-78-0 |
|---|---|
| SMILES | COC(=O)C=C(CN1C=NC=N1)N |
Product Overview
methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate (CAS 338405-78-0), with molecular formula C7H10N4O2 and molecular weight 182.08 g/mol. IUPAC: methyl 3-amino-4-(1,2,4-triazol-1-yl)but-2-enoate.
Chemical Property Profile of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate
Property Insights of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate
The XLogP value of -0.7063 indicates that methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.03 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate. Following Lipinski's Rule of Five, methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate has 1 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-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate?
The CAS number of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate is 338405-78-0.
What is the molecular formula of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate?
The molecular formula of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate is C7H10N4O2.
What is the molecular weight of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate?
The molecular weight of methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate is 182.08 g/mol.
Where can I buy methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate?
You can request a quote for methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-amino-4-(1H-1,2,4-triazol-1-yl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.