Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester
TL;DR: Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester (CAS 56177-76-5) is a chemical compound with molecular formula C10H8Cl2F2O2 and molecular weight 267.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3,4-dichlorophenyl)-2,2-difluoroacetate
Also Known As: ethyl 2-(3,4-dichlorophenyl)-2,2-difluoroacetate, Ethyl (3,4-Dichlorophenyl)-difluoroacetate, ethyl 2,2-difluoro-2-(3,4-dichlorophenyl)acetate, 3-Nitro-N-trichloracetyl-anilin, Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester
| Molecular Formula | C10H8Cl2F2O2 |
|---|---|
| Molecular Weight | 267.99 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 267.98694 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 56177-76-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)Cl)Cl)(F)F |
| InChIKey | GEGREBJUAOJJTH-UHFFFAOYSA-N |
Product Overview
Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester (CAS 56177-76-5), with molecular formula C10H8Cl2F2O2 and molecular weight 267.99 g/mol. IUPAC: ethyl 2-(3,4-dichlorophenyl)-2,2-difluoroacetate.
Chemical Property Profile of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester
Property Insights of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester
The XLogP value of 4.1 indicates that Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester?
The CAS number of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester is 56177-76-5.
What is the molecular formula of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester?
The molecular formula of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester is C10H8Cl2F2O2.
What is the molecular weight of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester?
The molecular weight of Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester is 267.99 g/mol.
Where can I buy Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester?
You can request a quote for Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl 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, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.