![Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate structure](/static/products/4000/400082-53-3.webp)
Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate
TL;DR: Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate (CAS 400082-53-3) is a chemical compound with molecular formula C20H18Cl2F2O3 and molecular weight 414.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate
Also Known As: ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate, 4P-708, ethyl 2,2-bis(2-chloro-6-fluorobenzyl)-3-oxobutanoate, ethyl2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate
| Molecular Formula | C20H18Cl2F2O3 |
|---|---|
| Molecular Weight | 414.06 g/mol |
| LogP | 5.1953 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 414.06012 |
| Heavy Atoms | 27 |
| Complexity | 774.3005 |
Chemical Identifiers
| CAS Number | 400082-53-3 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(C=CC=C1Cl)F)(CC2=C(C=CC=C2Cl)F)C(=O)C |
Product Overview
Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate (CAS 400082-53-3), with molecular formula C20H18Cl2F2O3 and molecular weight 414.06 g/mol. IUPAC: ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate.
Chemical Property Profile of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate
Property Insights of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate
The XLogP value of 5.1953 indicates that Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate?
The CAS number of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate is 400082-53-3.
What is the molecular formula of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate?
The molecular formula of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate is C20H18Cl2F2O3.
What is the molecular weight of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate?
The molecular weight of Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate is 414.06 g/mol.
Where can I buy Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate?
You can request a quote for Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-bis[(2-chloro-6-fluorophenyl)methyl]-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.