Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester
TL;DR: Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester (CAS 101492-19-7) is a chemical compound with molecular formula C25H22ClFO4 and molecular weight 440.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl (E)-4-chloro-2-(4-ethoxyphenyl)-3-fluorobut-2-enoate
Also Known As: Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester, (3-phenoxyphenyl)methyl (E)-4-chloro-2-(4-ethoxyphenyl)-3-fluoro-but-2-enoate, (3-phenoxyphenyl)methyl (E)-4-chloro-2-(4-ethoxyphenyl)-3-fluorobut-2-enoate
| Molecular Formula | C25H22ClFO4 |
|---|---|
| Molecular Weight | 440.12 g/mol |
| LogP | 6.5404 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 440.11908 |
| Heavy Atoms | 31 |
| Complexity | 1032.9023 |
Chemical Identifiers
| CAS Number | 101492-19-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C(=C(/CCl)\F)/C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3 |
Product Overview
Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester (CAS 101492-19-7), with molecular formula C25H22ClFO4 and molecular weight 440.12 g/mol. IUPAC: (3-phenoxyphenyl)methyl (E)-4-chloro-2-(4-ethoxyphenyl)-3-fluorobut-2-enoate.
Chemical Property Profile of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester
Property Insights of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester
The XLogP value of 6.5404 indicates that Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester?
The CAS number of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester is 101492-19-7.
What is the molecular formula of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester?
The molecular formula of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester is C25H22ClFO4.
What is the molecular weight of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester?
The molecular weight of Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester is 440.12 g/mol.
Where can I buy Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester?
You can request a quote for Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-(2-chloro-1-fluoroethylidene)-4-ethoxy-, (3-phenoxyphenyl)methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.