2-Mercaptoethyl heptanoate
TL;DR: 2-Mercaptoethyl heptanoate (CAS 22909-87-1) is a chemical compound with molecular formula C9H18O2S and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylethyl heptanoate
Also Known As: 2-Mercaptoethyl heptanoate, 2-sulfanylethyl heptanoate, Heptanoic acid, 2-mercaptoethyl ester, Heptanoic acid,2-mercaptoethyl ester, HEPTANOIC ACID 2-MERCAPTOETHYL ESTER
| Molecular Formula | C9H18O2S |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 190.10275 |
| Heavy Atoms | 12 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 22909-87-1 |
|---|---|
| SMILES | CCCCCCC(=O)OCCS |
| InChIKey | RAQXZZCIQKGGNI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Mercaptoethyl heptanoate (CAS 22909-87-1), with molecular formula C9H18O2S and molecular weight 190.10 g/mol. IUPAC: 2-sulfanylethyl heptanoate.
Chemical Property Profile of 2-Mercaptoethyl heptanoate
Property Insights of 2-Mercaptoethyl heptanoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptoethyl heptanoate. With a topological polar surface area (TPSA) of 27.3 Ų, 2-Mercaptoethyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Mercaptoethyl heptanoate 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 2-Mercaptoethyl heptanoate?
The CAS number of 2-Mercaptoethyl heptanoate is 22909-87-1.
What is the molecular formula of 2-Mercaptoethyl heptanoate?
The molecular formula of 2-Mercaptoethyl heptanoate is C9H18O2S.
What is the molecular weight of 2-Mercaptoethyl heptanoate?
The molecular weight of 2-Mercaptoethyl heptanoate is 190.10 g/mol.
Where can I buy 2-Mercaptoethyl heptanoate?
You can request a quote for 2-Mercaptoethyl heptanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptoethyl heptanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptoethyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.