(3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
TL;DR: (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate (CAS 101492-18-6) is a chemical compound with molecular formula C25H23ClF2O4 and molecular weight 460.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
Also Known As: (3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate, (3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluoro-butanoate, Benzeneacetic acid, alpha-(2-chloro-1,1-difluoroethyl)-4-ethoxy-, (3-phenoxyphenyl)methyl ester, Benzeneaceticacid, alpha-(2-chloro-1,1-difluoroethyl)-4-ethoxy-, (3-phenoxyphenyl)methyl ester
| Molecular Formula | C25H23ClF2O4 |
|---|---|
| Molecular Weight | 460.13 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 460.1253 |
| Heavy Atoms | 32 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 101492-18-6 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C(C(=O)OCC2=CC(=CC=C2)OC3=CC=CC=C3)C(CCl)(F)F |
| InChIKey | XCKKMXFSXACPGG-UHFFFAOYSA-N |
Product Overview
(3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate (CAS 101492-18-6), with molecular formula C25H23ClF2O4 and molecular weight 460.13 g/mol. IUPAC: (3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate.
Chemical Property Profile of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
Property Insights of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
The XLogP value of 6.4 indicates that (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate?
The CAS number of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate is 101492-18-6.
What is the molecular formula of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate?
The molecular formula of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate is C25H23ClF2O4.
What is the molecular weight of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate?
The molecular weight of (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate is 460.13 g/mol.
Where can I buy (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate?
You can request a quote for (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.