Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester
TL;DR: Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester (CAS 4117-77-5) is a chemical compound with molecular formula C12H20O5 and molecular weight 244.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-butanoylbutanedioate
Also Known As: Diethyl 2-butanoylbutanedioate, Diethyl butyryl succinate, DIETHYL SUCCINATE, diethyl 2-butyrylsuccinate, Diethyl (1-oxobutyl)succinate
| Molecular Formula | C12H20O5 |
|---|---|
| Molecular Weight | 244.13 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 244.13107 |
| Heavy Atoms | 17 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 4117-77-5 |
|---|---|
| SMILES | CCCC(=O)C(CC(=O)OCC)C(=O)OCC |
| InChIKey | CZWWKAPYGDDMPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester (CAS 4117-77-5), with molecular formula C12H20O5 and molecular weight 244.13 g/mol. IUPAC: diethyl 2-butanoylbutanedioate.
Chemical Property Profile of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester
Property Insights of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester 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 Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester?
The CAS number of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester is 4117-77-5.
What is the molecular formula of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester?
The molecular formula of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester is C12H20O5.
What is the molecular weight of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester?
The molecular weight of Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester is 244.13 g/mol.
Where can I buy Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester?
You can request a quote for Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-(1-oxobutyl)-, 1,4-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.