3-(辛硫基)丙酸
TL;DR: 3-(辛硫基)丙酸 (CAS 6964-23-4) 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.
3-(辛硫基)丙酸
3-octylsulfanylpropanoic acid
Also Known As: 3-(Octylthio)propionic acid, 3- propionicacid, 3-Octylthiopropionic acid, 3-(octylthio)propanoic acid, Propanoic acid, 3-(octylthio)-
| Molecular Formula | C11H22O2S |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 62.6 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 | 6964-23-4 |
|---|---|
| SMILES | CCCCCCCCSCCC(=O)O |
| InChIKey | OIXUWMYLRUBAHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(辛硫基)丙酸 (CAS 6964-23-4), with molecular formula C11H22O2S and molecular weight 218.13 g/mol. IUPAC: 3-octylsulfanylpropanoic acid.
Chemical Property Profile of 3-(辛硫基)丙酸
Property Insights of 3-(辛硫基)丙酸
The XLogP value of 3.8 indicates that 3-(辛硫基)丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(辛硫基)丙酸. Following Lipinski's Rule of Five, 3-(辛硫基)丙酸 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 3-(辛硫基)丙酸?
The CAS number of 3-(辛硫基)丙酸 is 6964-23-4.
What is the molecular formula of 3-(辛硫基)丙酸?
The molecular formula of 3-(辛硫基)丙酸 is C11H22O2S.
What is the molecular weight of 3-(辛硫基)丙酸?
The molecular weight of 3-(辛硫基)丙酸 is 218.13 g/mol.
Where can I buy 3-(辛硫基)丙酸?
You can request a quote for 3-(辛硫基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(辛硫基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(辛硫基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.