Ethenyl ethyl propanedioate
TL;DR: Ethenyl ethyl propanedioate (CAS 6295-76-7) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethenyl 1-O-ethyl propanedioate
Also Known As: ethenyl ethyl propanedioate, ethyl ethenyl propanedioate, 3-O-ethenyl 1-O-ethyl propanedioate, Malonic acid 1-vinyl 3-ethyl ester, 1-ETHENYL 3-ETHYL PROPANEDIOATE
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 6295-76-7 |
|---|---|
| SMILES | CCOC(=O)CC(=O)OC=C |
| InChIKey | VJVIZDREJGITOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethenyl ethyl propanedioate (CAS 6295-76-7), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: 3-O-ethenyl 1-O-ethyl propanedioate.
Chemical Property Profile of Ethenyl ethyl propanedioate
Property Insights of Ethenyl ethyl propanedioate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethenyl ethyl propanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Ethenyl ethyl propanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethenyl ethyl propanedioate 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 Ethenyl ethyl propanedioate?
The CAS number of Ethenyl ethyl propanedioate is 6295-76-7.
What is the molecular formula of Ethenyl ethyl propanedioate?
The molecular formula of Ethenyl ethyl propanedioate is C7H10O4.
What is the molecular weight of Ethenyl ethyl propanedioate?
The molecular weight of Ethenyl ethyl propanedioate is 158.06 g/mol.
Where can I buy Ethenyl ethyl propanedioate?
You can request a quote for Ethenyl ethyl propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethenyl ethyl propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Ethenyl ethyl propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.