Ethyl 4,4-diethoxybut-2-enoate
TL;DR: Ethyl 4,4-diethoxybut-2-enoate (CAS 55531-67-4) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4-diethoxybut-2-enoate
Also Known As: ethyl 4,4-diethoxybut-2-enoate, 4,4-diethoxy-but-2-enoic acid ethyl ester, 2-Butenoic acid, 4,4-diethoxy-, ethyl ester, (E)-
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 55531-67-4 |
|---|---|
| SMILES | CCOC(C=CC(=O)OCC)OCC |
| InChIKey | KVCGYYRCFAZDCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4,4-diethoxybut-2-enoate (CAS 55531-67-4), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: ethyl 4,4-diethoxybut-2-enoate.
Chemical Property Profile of Ethyl 4,4-diethoxybut-2-enoate
Property Insights of Ethyl 4,4-diethoxybut-2-enoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-diethoxybut-2-enoate. With a topological polar surface area (TPSA) of 44.8 Ų, Ethyl 4,4-diethoxybut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4-diethoxybut-2-enoate has 0 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 4,4-diethoxybut-2-enoate?
The CAS number of Ethyl 4,4-diethoxybut-2-enoate is 55531-67-4.
What is the molecular formula of Ethyl 4,4-diethoxybut-2-enoate?
The molecular formula of Ethyl 4,4-diethoxybut-2-enoate is C10H18O4.
What is the molecular weight of Ethyl 4,4-diethoxybut-2-enoate?
The molecular weight of Ethyl 4,4-diethoxybut-2-enoate is 202.12 g/mol.
Where can I buy Ethyl 4,4-diethoxybut-2-enoate?
You can request a quote for Ethyl 4,4-diethoxybut-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 4,4-diethoxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-diethoxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.