Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester
TL;DR: Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester (CAS 70942-32-4) is a chemical compound with molecular formula C8H14O4S and molecular weight 206.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 5-O-(2-sulfanylethyl) pentanedioate
Also Known As: 2-Mercaptoethyl methyl glutarate, 2-mercaptoethylmethylglutarate, Pentanedioic acid, 2-mercaptoethyl methyl ester, Methyl 2-sulfanylethyl pentanedioate, 2'-Mercaptoethyl 4-carbomethoxybutanoate
| Molecular Formula | C8H14O4S |
|---|---|
| Molecular Weight | 206.06 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 206.06128 |
| Heavy Atoms | 13 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 70942-32-4 |
|---|---|
| SMILES | COC(=O)CCCC(=O)OCCS |
| InChIKey | IRVQVEXKPWNYRJ-UHFFFAOYSA-N |
Product Overview
Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester (CAS 70942-32-4), with molecular formula C8H14O4S and molecular weight 206.06 g/mol. IUPAC: 1-O-methyl 5-O-(2-sulfanylethyl) pentanedioate.
Chemical Property Profile of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester
Property Insights of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester. With a topological polar surface area (TPSA) of 53.6 Ų, Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl 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 Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester?
The CAS number of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester is 70942-32-4.
What is the molecular formula of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester?
The molecular formula of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester is C8H14O4S.
What is the molecular weight of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester?
The molecular weight of Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester is 206.06 g/mol.
Where can I buy Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester?
You can request a quote for Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl 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-(2-mercaptoethyl) 5-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pentanedioic acid, 1-(2-mercaptoethyl) 5-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.