3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester
TL;DR: 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester (CAS 202191-21-7) is a chemical compound with molecular formula C18H36O4S2 and molecular weight 380.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-dodecylsulfanylethylsulfonyl)propanoate
Also Known As: BAS 00245427, 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester, methyl 3-[(2-dodecylthioethyl)sulfonyl]propanoate, methyl 3-(2-dodecylsulfanylethylsulfonyl)propanoate
| Molecular Formula | C18H36O4S2 |
|---|---|
| Molecular Weight | 380.21 g/mol |
| LogP | 4.6184 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 17 |
| Exact Mass | 380.2055 |
| Heavy Atoms | 24 |
| Complexity | 393.82294 |
Chemical Identifiers
| CAS Number | 202191-21-7 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCS(=O)(=O)CCC(=O)OC |
Product Overview
3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester (CAS 202191-21-7), with molecular formula C18H36O4S2 and molecular weight 380.21 g/mol. IUPAC: methyl 3-(2-dodecylsulfanylethylsulfonyl)propanoate.
Chemical Property Profile of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester
Property Insights of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester
The XLogP value of 4.6184 indicates that 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester. Following Lipinski's Rule of Five, 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester has 0 hydrogen bond donor(s) and 5 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-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester?
The CAS number of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester is 202191-21-7.
What is the molecular formula of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester?
The molecular formula of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester is C18H36O4S2.
What is the molecular weight of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester?
The molecular weight of 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester is 380.21 g/mol.
Where can I buy 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester?
You can request a quote for 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Dodecylsulfanyl-ethanesulfonyl)-propionic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.