methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate
TL;DR: methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate (CAS 478041-31-5) is a chemical compound with molecular formula C17H15ClFNO2 and molecular weight 319.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-chloro-2-fluoroanilino)-2-phenylbut-2-enoate
Also Known As: methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate, methyl 3-(4-chloro-2-fluoroanilino)-2-phenylbut-2-enoate, Methyl 3-[(4-chloro-2-fluoro-phenyl)amino]-2-phenyl-but-2-enoate
| Molecular Formula | C17H15ClFNO2 |
|---|---|
| Molecular Weight | 319.08 g/mol |
| LogP | 4.4952 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.07755 |
| Heavy Atoms | 22 |
| Complexity | 713.8538 |
Chemical Identifiers
| CAS Number | 478041-31-5 |
|---|---|
| SMILES | CC(=C(C1=CC=CC=C1)C(=O)OC)NC2=C(C=C(C=C2)Cl)F |
Product Overview
methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate (CAS 478041-31-5), with molecular formula C17H15ClFNO2 and molecular weight 319.08 g/mol. IUPAC: methyl 3-(4-chloro-2-fluoroanilino)-2-phenylbut-2-enoate.
Chemical Property Profile of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate
Property Insights of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate
The XLogP value of 4.4952 indicates that methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.33 Ų, methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate has 1 hydrogen bond donor(s) and 3 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 (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate?
The CAS number of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate is 478041-31-5.
What is the molecular formula of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate?
The molecular formula of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate is C17H15ClFNO2.
What is the molecular weight of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate?
The molecular weight of methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate is 319.08 g/mol.
Where can I buy methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate?
You can request a quote for methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (Z)-3-(4-chloro-2-fluoroanilino)-2-phenyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.