4-Methylene-heptanedioic acid diethyl ester
TL;DR: 4-Methylene-heptanedioic acid diethyl ester (CAS 96747-30-7) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-methylideneheptanedioate
Also Known As: diethyl-4-methylene-heptanedioate, Diethyl 4-methylideneheptanedioate, 1,7-diethyl 4-methylideneheptanedioate, 4-Methyleneheptanedioic acid diethyl ester, 4-methylene-heptanedioic acid diethyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.2292 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 221.40332 |
Chemical Identifiers
| CAS Number | 96747-30-7 |
|---|---|
| SMILES | CCOC(=O)CCC(=C)CCC(=O)OCC |
Product Overview
4-Methylene-heptanedioic acid diethyl ester (CAS 96747-30-7), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: diethyl 4-methylideneheptanedioate.
Chemical Property Profile of 4-Methylene-heptanedioic acid diethyl ester
Property Insights of 4-Methylene-heptanedioic acid diethyl ester
The XLogP value of 2.2292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylene-heptanedioic acid diethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, 4-Methylene-heptanedioic acid diethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylene-heptanedioic acid diethyl ester 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 4-Methylene-heptanedioic acid diethyl ester?
The CAS number of 4-Methylene-heptanedioic acid diethyl ester is 96747-30-7.
What is the molecular formula of 4-Methylene-heptanedioic acid diethyl ester?
The molecular formula of 4-Methylene-heptanedioic acid diethyl ester is C12H20O4.
What is the molecular weight of 4-Methylene-heptanedioic acid diethyl ester?
The molecular weight of 4-Methylene-heptanedioic acid diethyl ester is 228.14 g/mol.
Where can I buy 4-Methylene-heptanedioic acid diethyl ester?
You can request a quote for 4-Methylene-heptanedioic acid diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylene-heptanedioic acid diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylene-heptanedioic acid diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.