Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester
TL;DR: Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester (CAS 60642-68-4) is a chemical compound with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-sulfanylethyl) pentanedioate
Also Known As: Bis(2-mercaptoethyl) glutarate, bis(2-sulfanylethyl) pentanedioate, Bis(2-mercaptoethyl) 1,5-pentanedioate, bis-(2-Mercaptoethyl) glutarate, Pentanedioic acid, bis(2-mercaptoethyl) ester
| Molecular Formula | C9H16O4S2 |
|---|---|
| Molecular Weight | 252.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 252.049 |
| Heavy Atoms | 15 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 60642-68-4 |
|---|---|
| SMILES | C(CC(=O)OCCS)CC(=O)OCCS |
| InChIKey | UDUCJYFINGFFDE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester (CAS 60642-68-4), with molecular formula C9H16O4S2 and molecular weight 252.05 g/mol. IUPAC: bis(2-sulfanylethyl) pentanedioate.
Chemical Property Profile of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester
Property Insights of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester. With a topological polar surface area (TPSA) of 54.6 Ų, Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 1,5-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 Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester?
The CAS number of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester is 60642-68-4.
What is the molecular formula of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester?
The molecular formula of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester is C9H16O4S2.
What is the molecular weight of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester?
The molecular weight of Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester is 252.05 g/mol.
Where can I buy Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester?
You can request a quote for Pentanedioic acid, 1,5-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 Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 1,5-bis(2-mercaptoethyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.