Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
TL;DR: Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester (CAS 7529-08-0) is a chemical compound with molecular formula C12H22O4S and molecular weight 262.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-sulfanylbutanedioate
Also Known As: dibutyl thiomalate, Dibutyl 2-mercaptosuccinate, Dibutyl mercaptosuccinate, dibutyl 2-sulfanylbutanedioate, NCIOpen2_003205
| Molecular Formula | C12H22O4S |
|---|---|
| Molecular Weight | 262.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 262.12387 |
| Heavy Atoms | 17 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 7529-08-0 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)S |
| InChIKey | CEAVWKAXWLZMFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester (CAS 7529-08-0), with molecular formula C12H22O4S and molecular weight 262.12 g/mol. IUPAC: dibutyl 2-sulfanylbutanedioate.
Chemical Property Profile of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
Property Insights of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester. With a topological polar surface area (TPSA) of 53.6 Ų, Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester has 1 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-mercapto-, 1,4-dibutyl ester?
The CAS number of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester is 7529-08-0.
What is the molecular formula of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester?
The molecular formula of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester is C12H22O4S.
What is the molecular weight of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester?
The molecular weight of Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester is 262.12 g/mol.
Where can I buy Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester?
You can request a quote for Butanedioic acid, 2-mercapto-, 1,4-dibutyl 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-mercapto-, 1,4-dibutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 2-mercapto-, 1,4-dibutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.