Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate
TL;DR: Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate (CAS 144194-07-0) is a chemical compound with molecular formula C8H11ClF2O2 and molecular weight 212.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate
Also Known As: Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate, ethyl 4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate, ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate, 3-Butenoic acid, 4-chloro-3,4-difluoro-2,2-dimethyl-, ethyl ester, (E)-, ethyl (3E)-4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate
| Molecular Formula | C8H11ClF2O2 |
|---|---|
| Molecular Weight | 212.04 g/mol |
| LogP | 2.9226 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.04156 |
| Heavy Atoms | 13 |
| Complexity | 232.29852 |
Chemical Identifiers
| CAS Number | 144194-07-0 |
|---|---|
| SMILES | CCOC(=O)C(C)(C)/C(=C(/F)\Cl)/F |
Product Overview
Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate (CAS 144194-07-0), with molecular formula C8H11ClF2O2 and molecular weight 212.04 g/mol. IUPAC: ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethylbut-3-enoate.
Chemical Property Profile of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate
Property Insights of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate
The XLogP value of 2.9226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate has 0 hydrogen bond donor(s) and 2 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 Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate?
The CAS number of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate is 144194-07-0.
What is the molecular formula of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate?
The molecular formula of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate is C8H11ClF2O2.
What is the molecular weight of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate?
The molecular weight of Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate is 212.04 g/mol.
Where can I buy Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate?
You can request a quote for Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (E)-4-chloro-3,4-difluoro-2,2-dimethyl-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.