3-(十八烷硫基)丙酸
TL;DR: 3-(十八烷硫基)丙酸 (CAS 3062-66-6) is a chemical compound with molecular formula C21H42O2S and molecular weight 358.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(十八烷硫基)丙酸
3-octadecylsulfanylpropanoic acid
Also Known As: 3-(octadecylsulfanyl)propanoic acid, 3-(Octadecylthio)propionic acid, 3-octadecylsulfanylpropanoic acid, Propanoic acid,3-(octadecylthio)-
| Molecular Formula | C21H42O2S |
|---|---|
| Molecular Weight | 358.29 g/mol |
| LogP | 9.2 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 20 |
| Exact Mass | 358.29056 |
| Heavy Atoms | 24 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 3062-66-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCCC(=O)O |
| InChIKey | CDBQZFAWRRUUIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(十八烷硫基)丙酸 (CAS 3062-66-6), with molecular formula C21H42O2S and molecular weight 358.29 g/mol. IUPAC: 3-octadecylsulfanylpropanoic acid.
Chemical Property Profile of 3-(十八烷硫基)丙酸
Property Insights of 3-(十八烷硫基)丙酸
The XLogP value of 9.2 indicates that 3-(十八烷硫基)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-(十八烷硫基)丙酸. Following Lipinski's Rule of Five, 3-(十八烷硫基)丙酸 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(十八烷硫基)丙酸?
The CAS number of 3-(十八烷硫基)丙酸 is 3062-66-6.
What is the molecular formula of 3-(十八烷硫基)丙酸?
The molecular formula of 3-(十八烷硫基)丙酸 is C21H42O2S.
What is the molecular weight of 3-(十八烷硫基)丙酸?
The molecular weight of 3-(十八烷硫基)丙酸 is 358.29 g/mol.
Where can I buy 3-(十八烷硫基)丙酸?
You can request a quote for 3-(十八烷硫基)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-(十八烷硫基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3-(十八烷硫基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.