Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester
TL;DR: Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester (CAS 30738-51-3) is a chemical compound with molecular formula C16H14Cl2O2 and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis(4-chlorophenyl)acetate
Also Known As: Ethyl DDA, ethyl bis(4-chlorophenyl)acetate, Acetic acid, ethyl ester, Benzeneacetic acid, ethyl ester, ethyl 2,2-bis(4-chlorophenyl)acetate
| Molecular Formula | C16H14Cl2O2 |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.03708 |
| Heavy Atoms | 20 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 30738-51-3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl |
| InChIKey | LDBRZDPBCLPCAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester (CAS 30738-51-3), with molecular formula C16H14Cl2O2 and molecular weight 308.04 g/mol. IUPAC: ethyl 2,2-bis(4-chlorophenyl)acetate.
Chemical Property Profile of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester
Property Insights of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester
The XLogP value of 5.2 indicates that Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, 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, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester has 0 hydrogen bond donor(s) and 2 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, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester?
The CAS number of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester is 30738-51-3.
What is the molecular formula of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester?
The molecular formula of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester is C16H14Cl2O2.
What is the molecular weight of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester?
The molecular weight of Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester is 308.04 g/mol.
Where can I buy Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester?
You can request a quote for Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, 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, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, 4-chloro-alpha-(4-chlorophenyl)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.