methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate
TL;DR: methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate (CAS 383148-47-8) is a chemical compound with molecular formula C12H10ClFN4O2 and molecular weight 296.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-chloro-4-fluoroanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate
Also Known As: methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate, methyl 3-(3-chloro-4-fluoroanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate, methyl 3-[(3-chloro-4-fluorophenyl)amino]-2-(1H-1,2,4-triazol-1-yl)prop-2-enoate
| Molecular Formula | C12H10ClFN4O2 |
|---|---|
| Molecular Weight | 296.05 g/mol |
| LogP | 2.1541 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 296.04764 |
| Heavy Atoms | 20 |
| Complexity | 642.9118 |
Chemical Identifiers
| CAS Number | 383148-47-8 |
|---|---|
| SMILES | COC(=O)C(=CNC1=CC(=C(C=C1)F)Cl)N2C=NC=N2 |
Product Overview
methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate (CAS 383148-47-8), with molecular formula C12H10ClFN4O2 and molecular weight 296.05 g/mol. IUPAC: methyl 3-(3-chloro-4-fluoroanilino)-2-(1,2,4-triazol-1-yl)prop-2-enoate.
Chemical Property Profile of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate
Property Insights of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate
The XLogP value of 2.1541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate. Following Lipinski's Rule of Five, methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate 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 (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate?
The CAS number of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate is 383148-47-8.
What is the molecular formula of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate?
The molecular formula of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate is C12H10ClFN4O2.
What is the molecular weight of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate?
The molecular weight of methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate is 296.05 g/mol.
Where can I buy methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate?
You can request a quote for methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-3-(3-chloro-4-fluoroanilino)-2-(1H-1,2,4-triazol-1-yl)-2-propenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.