Propionic acid, 2-mercapto-, isopropyl ester
TL;DR: Propionic acid, 2-mercapto-, isopropyl ester (CAS 16849-77-7) is a chemical compound with molecular formula C6H12O2S and molecular weight 148.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-sulfanylpropanoate
Also Known As: propan-2-yl 2-sulfanylpropanoate, Propionic acid, 2-mercapto-, isopropyl ester, Isopropyl 2-sulfanylpropanoate #, Isopropyl-alpha-mercapto-propionate, Isopropyl .alpha.-mercaptopropionate
| Molecular Formula | C6H12O2S |
|---|---|
| Molecular Weight | 148.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 148.0558 |
| Heavy Atoms | 9 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 16849-77-7 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)S |
| InChIKey | NUIVLBRODXOUAB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propionic acid, 2-mercapto-, isopropyl ester (CAS 16849-77-7), with molecular formula C6H12O2S and molecular weight 148.06 g/mol. IUPAC: propan-2-yl 2-sulfanylpropanoate.
Chemical Property Profile of Propionic acid, 2-mercapto-, isopropyl ester
Property Insights of Propionic acid, 2-mercapto-, isopropyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propionic acid, 2-mercapto-, isopropyl ester. With a topological polar surface area (TPSA) of 27.3 Ų, Propionic acid, 2-mercapto-, isopropyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 2-mercapto-, isopropyl 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 Propionic acid, 2-mercapto-, isopropyl ester?
The CAS number of Propionic acid, 2-mercapto-, isopropyl ester is 16849-77-7.
What is the molecular formula of Propionic acid, 2-mercapto-, isopropyl ester?
The molecular formula of Propionic acid, 2-mercapto-, isopropyl ester is C6H12O2S.
What is the molecular weight of Propionic acid, 2-mercapto-, isopropyl ester?
The molecular weight of Propionic acid, 2-mercapto-, isopropyl ester is 148.06 g/mol.
Where can I buy Propionic acid, 2-mercapto-, isopropyl ester?
You can request a quote for Propionic acid, 2-mercapto-, isopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 2-mercapto-, isopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 2-mercapto-, isopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.