Ethyl 4-chloro-3-ethoxybut-2-enoate
TL;DR: Ethyl 4-chloro-3-ethoxybut-2-enoate (CAS 32809-81-7) is a chemical compound with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-3-ethoxybut-2-enoate
Also Known As: Ethyl 4-chloro-3-ethoxy-2-butenoate, ethyl 4-chloro-3-ethoxybut-2-enoate, 2-Butenoic acid,4-chloro-3-ethoxy-, ethyl ester, (E)-4-Chloro-3-ethoxy-2-butenoic acid ethyl ester, 2-Butenoic acid, 4-chloro-3-ethoxy-, ethyl ester
| Molecular Formula | C8H13ClO3 |
|---|---|
| Molecular Weight | 192.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 192.05533 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 32809-81-7 |
|---|---|
| SMILES | CCOC(=CC(=O)OCC)CCl |
| InChIKey | ZKGUZFGSTHDYQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chloro-3-ethoxybut-2-enoate (CAS 32809-81-7), with molecular formula C8H13ClO3 and molecular weight 192.06 g/mol. IUPAC: ethyl 4-chloro-3-ethoxybut-2-enoate.
Chemical Property Profile of Ethyl 4-chloro-3-ethoxybut-2-enoate
Property Insights of Ethyl 4-chloro-3-ethoxybut-2-enoate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-3-ethoxybut-2-enoate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 4-chloro-3-ethoxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-3-ethoxybut-2-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 4-chloro-3-ethoxybut-2-enoate?
The CAS number of Ethyl 4-chloro-3-ethoxybut-2-enoate is 32809-81-7.
What is the molecular formula of Ethyl 4-chloro-3-ethoxybut-2-enoate?
The molecular formula of Ethyl 4-chloro-3-ethoxybut-2-enoate is C8H13ClO3.
What is the molecular weight of Ethyl 4-chloro-3-ethoxybut-2-enoate?
The molecular weight of Ethyl 4-chloro-3-ethoxybut-2-enoate is 192.06 g/mol.
Where can I buy Ethyl 4-chloro-3-ethoxybut-2-enoate?
You can request a quote for Ethyl 4-chloro-3-ethoxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-3-ethoxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-3-ethoxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.