ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate
TL;DR: ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate (CAS 491850-63-6) is a chemical compound with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate
Also Known As: ethyl 4-chloro-2-oxo-4-phenylbut-3-enoate, Ethyl (Z)-4-chloro-2-oxo-4-phenyl-but-3-enoate
| Molecular Formula | C12H11ClO3 |
|---|---|
| Molecular Weight | 238.04 g/mol |
| LogP | 2.3985 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.03967 |
| Heavy Atoms | 16 |
| Complexity | 409.53186 |
Chemical Identifiers
| CAS Number | 491850-63-6 |
|---|---|
| SMILES | CCOC(=O)C(=O)/C=C(/C1=CC=CC=C1)\Cl |
Product Overview
ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate (CAS 491850-63-6), with molecular formula C12H11ClO3 and molecular weight 238.04 g/mol. IUPAC: ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate.
Chemical Property Profile of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate
Property Insights of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate
The XLogP value of 2.3985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate. With a topological polar surface area (TPSA) of 43.37 Ų, ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate has 0 hydrogen bond donor(s) and 3 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 (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate?
The CAS number of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate is 491850-63-6.
What is the molecular formula of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate?
The molecular formula of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate is C12H11ClO3.
What is the molecular weight of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate?
The molecular weight of ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate is 238.04 g/mol.
Where can I buy ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate?
You can request a quote for ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-4-chloro-2-oxo-4-phenylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.