ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate
TL;DR: ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate (CAS 65356-49-2) is a chemical compound with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate
Also Known As: ethyl 4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate, ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate
| Molecular Formula | C12H11ClO4 |
|---|---|
| Molecular Weight | 254.03 g/mol |
| LogP | 2.3711 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.03459 |
| Heavy Atoms | 17 |
| Complexity | 448.07837 |
Chemical Identifiers
| CAS Number | 65356-49-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)/C=C(/C1=CC=C(C=C1)Cl)\O |
Product Overview
ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate (CAS 65356-49-2), with molecular formula C12H11ClO4 and molecular weight 254.03 g/mol. IUPAC: ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate.
Chemical Property Profile of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate
Property Insights of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate
The XLogP value of 2.3711 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate. Following Lipinski's Rule of Five, ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate has 1 hydrogen bond donor(s) and 4 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-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate?
The CAS number of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate is 65356-49-2.
What is the molecular formula of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate?
The molecular formula of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate is C12H11ClO4.
What is the molecular weight of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate?
The molecular weight of ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate is 254.03 g/mol.
Where can I buy ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate?
You can request a quote for ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-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-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (Z)-4-(4-chlorophenyl)-4-hydroxy-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.