Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
TL;DR: Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester (CAS 60642-67-3) is a chemical compound with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-sulfanylethyl) butanedioate
Also Known As: bis succinate, Bis(2-mercaptoethyl) succinate, bis(2-sulfanylethyl) butanedioate, bis(2-sulfanylethyl) succinate, Bis(2-mercaptoethyl) 1,4-butanedioate
| Molecular Formula | C8H14O4S2 |
|---|---|
| Molecular Weight | 238.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 238.03336 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 60642-67-3 |
|---|---|
| SMILES | C(CC(=O)OCCS)C(=O)OCCS |
| InChIKey | KHPRKIZSQDCBGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester (CAS 60642-67-3), with molecular formula C8H14O4S2 and molecular weight 238.03 g/mol. IUPAC: bis(2-sulfanylethyl) butanedioate.
Chemical Property Profile of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
Property Insights of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester. With a topological polar surface area (TPSA) of 54.6 Ų, Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester has 2 hydrogen bond donor(s) and 6 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, 1,4-bis(2-mercaptoethyl) ester?
The CAS number of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester is 60642-67-3.
What is the molecular formula of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester?
The molecular formula of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester is C8H14O4S2.
What is the molecular weight of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester?
The molecular weight of Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester is 238.03 g/mol.
Where can I buy Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester?
You can request a quote for Butanedioic acid, 1,4-bis(2-mercaptoethyl) 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, 1,4-bis(2-mercaptoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, 1,4-bis(2-mercaptoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.