Isooctyl 3-mercaptopropionate
TL;DR: Isooctyl 3-mercaptopropionate (CAS 30374-01-7) 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.
6-methylheptyl 3-sulfanylpropanoate
Also Known As: Isooctyl 3-mercaptopropionate, 6-Methylheptyl 3-mercaptopropanoate, 6-Methylheptyl 3-sulfanylpropanoate, Propanoic acid, 3-mercapto-, isooctyl ester, isooctyl mercaptopropionate
| Molecular Formula | C11H22O2S |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 218.13405 |
| Heavy Atoms | 14 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 30374-01-7 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CCS |
| InChIKey | ZHUWXKIPGGZNJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isooctyl 3-mercaptopropionate (CAS 30374-01-7), with molecular formula C11H22O2S and molecular weight 218.13 g/mol. IUPAC: 6-methylheptyl 3-sulfanylpropanoate.
Chemical Property Profile of Isooctyl 3-mercaptopropionate
Property Insights of Isooctyl 3-mercaptopropionate
The XLogP value of 3.5 indicates that Isooctyl 3-mercaptopropionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.3 Ų, Isooctyl 3-mercaptopropionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isooctyl 3-mercaptopropionate 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 Isooctyl 3-mercaptopropionate?
The CAS number of Isooctyl 3-mercaptopropionate is 30374-01-7.
What is the molecular formula of Isooctyl 3-mercaptopropionate?
The molecular formula of Isooctyl 3-mercaptopropionate is C11H22O2S.
What is the molecular weight of Isooctyl 3-mercaptopropionate?
The molecular weight of Isooctyl 3-mercaptopropionate is 218.13 g/mol.
Where can I buy Isooctyl 3-mercaptopropionate?
You can request a quote for Isooctyl 3-mercaptopropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isooctyl 3-mercaptopropionate?
Yes, KEHONG BIO provides custom synthesis services for Isooctyl 3-mercaptopropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.