Butyl 2,2-bis(4-chlorophenyl)acetate
TL;DR: Butyl 2,2-bis(4-chlorophenyl)acetate (CAS 42991-55-9) is a chemical compound with molecular formula C18H18Cl2O2 and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2,2-bis(4-chlorophenyl)acetate
Also Known As: butyl 2,2-bis(4-chlorophenyl)acetate, Butyl bis(4-chlorophenyl)acetate, Bis-(4-chlor-phenyl)-essigsaeure-butylester, J2.889.719G, 2,2-Bis(4-chlorophenyl)acetic acid butyl ester
| Molecular Formula | C18H18Cl2O2 |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 5.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 336.0684 |
| Heavy Atoms | 22 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 42991-55-9 |
|---|---|
| SMILES | CCCCOC(=O)C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl |
| InChIKey | POHHNDQPDMJXPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 2,2-bis(4-chlorophenyl)acetate (CAS 42991-55-9), with molecular formula C18H18Cl2O2 and molecular weight 336.07 g/mol. IUPAC: butyl 2,2-bis(4-chlorophenyl)acetate.
Chemical Property Profile of Butyl 2,2-bis(4-chlorophenyl)acetate
Property Insights of Butyl 2,2-bis(4-chlorophenyl)acetate
The XLogP value of 5.9 indicates that Butyl 2,2-bis(4-chlorophenyl)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 2,2-bis(4-chlorophenyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 2,2-bis(4-chlorophenyl)acetate 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 Butyl 2,2-bis(4-chlorophenyl)acetate?
The CAS number of Butyl 2,2-bis(4-chlorophenyl)acetate is 42991-55-9.
What is the molecular formula of Butyl 2,2-bis(4-chlorophenyl)acetate?
The molecular formula of Butyl 2,2-bis(4-chlorophenyl)acetate is C18H18Cl2O2.
What is the molecular weight of Butyl 2,2-bis(4-chlorophenyl)acetate?
The molecular weight of Butyl 2,2-bis(4-chlorophenyl)acetate is 336.07 g/mol.
Where can I buy Butyl 2,2-bis(4-chlorophenyl)acetate?
You can request a quote for Butyl 2,2-bis(4-chlorophenyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 2,2-bis(4-chlorophenyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 2,2-bis(4-chlorophenyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.