Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
TL;DR: Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate (CAS 691879-67-1) is a chemical compound with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
Also Known As: Bionet1_004662, methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate, methyl (E)-3-[4-(benzyloxy)anilino]-2-(1H-1,2,4-triazol-1-yl)-2-propenoate
| Molecular Formula | C19H18N4O3 |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 2.9406 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.13788 |
| Heavy Atoms | 26 |
| Complexity | 859.56946 |
Chemical Identifiers
| CAS Number | 691879-67-1 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC=C(C=C1)OCC2=CC=CC=C2)N3C=NC=N3 |
Product Overview
Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate (CAS 691879-67-1), with molecular formula C19H18N4O3 and molecular weight 350.14 g/mol. IUPAC: methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate.
Chemical Property Profile of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
Property Insights of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
The XLogP value of 2.9406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate. The TPSA of 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate. Following Lipinski's Rule of Five, Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate has 1 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 Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate?
The CAS number of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate is 691879-67-1.
What is the molecular formula of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate?
The molecular formula of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate is C19H18N4O3.
What is the molecular weight of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate?
The molecular weight of Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate is 350.14 g/mol.
Where can I buy Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate?
You can request a quote for Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-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-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(4-phenylmethoxyanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.