Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester
TL;DR: Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester (CAS 70942-33-5) is a chemical compound with molecular formula C9H16O4S and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-O-methyl 6-O-(2-sulfanylethyl) hexanedioate
Also Known As: methyl 2-sulfanylethyl adipate, Hexanedioic acid, 2-mercaptoethyl methyl ester, 2'-Mercaptoethyl 5-carbomethoxypentanoate, methyl 2-sulfanylethyl hexanedioate, 1-O-methyl 6-O-(2-sulfanylethyl) hexanedioate
| Molecular Formula | C9H16O4S |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 220.07693 |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 70942-33-5 |
|---|---|
| SMILES | COC(=O)CCCCC(=O)OCCS |
| InChIKey | KPTJEIGJHHBFJH-UHFFFAOYSA-N |
Product Overview
Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester (CAS 70942-33-5), with molecular formula C9H16O4S and molecular weight 220.08 g/mol. IUPAC: 1-O-methyl 6-O-(2-sulfanylethyl) hexanedioate.
Chemical Property Profile of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester
Property Insights of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester. With a topological polar surface area (TPSA) of 53.6 Ų, Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanedioic acid, 1-(2-mercaptoethyl) 6-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 Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester?
The CAS number of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester is 70942-33-5.
What is the molecular formula of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester?
The molecular formula of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester is C9H16O4S.
What is the molecular weight of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester?
The molecular weight of Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester is 220.08 g/mol.
Where can I buy Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester?
You can request a quote for Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanedioic acid, 1-(2-mercaptoethyl) 6-methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.