Nonanoic acid, 2-mercaptoethyl ester
TL;DR: Nonanoic acid, 2-mercaptoethyl ester (CAS 30982-97-9) is a chemical compound with molecular formula C11H22O2S and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl nonanoate
Also Known As: 2-Mercaptoethyl nonanoate, 2-sulfanylethyl nonanoate, 2-Mercaptoethyl nonan-1-oate, 2-mercaptoethylnonan-1-oate, Nonanoic acid, 2-mercaptoethyl ester
| Molecular Formula | C11H22O2S |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 218.13405 |
| Heavy Atoms | 14 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 30982-97-9 |
|---|---|
| SMILES | CCCCCCCCC(=O)OCCS |
| InChIKey | JDUBWWBPEXAGDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonanoic acid, 2-mercaptoethyl ester (CAS 30982-97-9), with molecular formula C11H22O2S and molecular weight 218.13 g/mol. IUPAC: 2-sulfanylethyl nonanoate.
Chemical Property Profile of Nonanoic acid, 2-mercaptoethyl ester
Property Insights of Nonanoic acid, 2-mercaptoethyl ester
The XLogP value of 3.9 indicates that Nonanoic acid, 2-mercaptoethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Nonanoic acid, 2-mercaptoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, 2-mercaptoethyl ester has 1 hydrogen bond donor(s) and 3 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 Nonanoic acid, 2-mercaptoethyl ester?
The CAS number of Nonanoic acid, 2-mercaptoethyl ester is 30982-97-9.
What is the molecular formula of Nonanoic acid, 2-mercaptoethyl ester?
The molecular formula of Nonanoic acid, 2-mercaptoethyl ester is C11H22O2S.
What is the molecular weight of Nonanoic acid, 2-mercaptoethyl ester?
The molecular weight of Nonanoic acid, 2-mercaptoethyl ester is 218.13 g/mol.
Where can I buy Nonanoic acid, 2-mercaptoethyl ester?
You can request a quote for Nonanoic acid, 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 Nonanoic acid, 2-mercaptoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Nonanoic acid, 2-mercaptoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.