Diethyl Isopropylidenesuccinate
TL;DR: Diethyl Isopropylidenesuccinate (CAS 42499-24-1) is a chemical compound with molecular formula C11H18O4 and molecular weight 214.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-propan-2-ylidenebutanedioate
Also Known As: Diethyl Isopropylidenesuccinate, Isopropylidenesuccinic Acid Diethyl Ester, Diethyl 2-(propan-2-ylidene)succinate, diethyl 2-propan-2-ylidenebutanedioate, NCIOpen2_003518
| Molecular Formula | C11H18O4 |
|---|---|
| Molecular Weight | 214.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.12051 |
| Heavy Atoms | 15 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 42499-24-1 |
|---|---|
| SMILES | CCOC(=O)CC(=C(C)C)C(=O)OCC |
| InChIKey | FSUBDXPWXDGTBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl Isopropylidenesuccinate (CAS 42499-24-1), with molecular formula C11H18O4 and molecular weight 214.12 g/mol. IUPAC: diethyl 2-propan-2-ylidenebutanedioate.
Chemical Property Profile of Diethyl Isopropylidenesuccinate
Property Insights of Diethyl Isopropylidenesuccinate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl Isopropylidenesuccinate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl Isopropylidenesuccinate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl Isopropylidenesuccinate 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 Diethyl Isopropylidenesuccinate?
The CAS number of Diethyl Isopropylidenesuccinate is 42499-24-1.
What is the molecular formula of Diethyl Isopropylidenesuccinate?
The molecular formula of Diethyl Isopropylidenesuccinate is C11H18O4.
What is the molecular weight of Diethyl Isopropylidenesuccinate?
The molecular weight of Diethyl Isopropylidenesuccinate is 214.12 g/mol.
Where can I buy Diethyl Isopropylidenesuccinate?
You can request a quote for Diethyl Isopropylidenesuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl Isopropylidenesuccinate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl Isopropylidenesuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.