Diethyl 2-hexanoylbutanedioate
TL;DR: Diethyl 2-hexanoylbutanedioate (CAS 7598-33-6) is a chemical compound with molecular formula C14H24O5 and molecular weight 272.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-hexanoylbutanedioate
Also Known As: diethyl 2-hexanoylbutanedioate, diethyl 2-hexanoylsuccinate, 2-hexanoyl-butanedioic acid diethyl ester, 2-HEXANOYL-SUCCINIC ACID DIETHYL ESTER, Butanedioic acid, 2-(1-oxohexyl)-, 1,4-diethyl ester
| Molecular Formula | C14H24O5 |
|---|---|
| Molecular Weight | 272.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.16238 |
| Heavy Atoms | 19 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 7598-33-6 |
|---|---|
| SMILES | CCCCCC(=O)C(CC(=O)OCC)C(=O)OCC |
| InChIKey | LSEFBDGMLXFCDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-hexanoylbutanedioate (CAS 7598-33-6), with molecular formula C14H24O5 and molecular weight 272.16 g/mol. IUPAC: diethyl 2-hexanoylbutanedioate.
Chemical Property Profile of Diethyl 2-hexanoylbutanedioate
Property Insights of Diethyl 2-hexanoylbutanedioate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-hexanoylbutanedioate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-hexanoylbutanedioate. Following Lipinski's Rule of Five, Diethyl 2-hexanoylbutanedioate has 0 hydrogen bond donor(s) and 5 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 2-hexanoylbutanedioate?
The CAS number of Diethyl 2-hexanoylbutanedioate is 7598-33-6.
What is the molecular formula of Diethyl 2-hexanoylbutanedioate?
The molecular formula of Diethyl 2-hexanoylbutanedioate is C14H24O5.
What is the molecular weight of Diethyl 2-hexanoylbutanedioate?
The molecular weight of Diethyl 2-hexanoylbutanedioate is 272.16 g/mol.
Where can I buy Diethyl 2-hexanoylbutanedioate?
You can request a quote for Diethyl 2-hexanoylbutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-hexanoylbutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-hexanoylbutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.