3-(4-Methyl-benzylsulfanyl)-propionic acid
TL;DR: 3-(4-Methyl-benzylsulfanyl)-propionic acid (CAS 78981-22-3) is a chemical compound with molecular formula C11H14O2S and molecular weight 210.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-methylphenyl)methylsulfanyl]propanoic acid
Also Known As: 3-(4-METHYL-BENZYLSULFANYL)-PROPIONIC ACID, Mpr(Mbzl)-OH, ChemDiv3_014241, 3-[(4-methylphenyl)methylsulfanyl]propanoic acid, 3-(4-Methylbenzylthio)propionic acid
| Molecular Formula | C11H14O2S |
|---|---|
| Molecular Weight | 210.07 g/mol |
| LogP | 2.70292 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 210.07146 |
| Heavy Atoms | 14 |
| Complexity | 292.66077 |
Chemical Identifiers
| CAS Number | 78981-22-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSCCC(=O)O |
Product Overview
3-(4-Methyl-benzylsulfanyl)-propionic acid (CAS 78981-22-3), with molecular formula C11H14O2S and molecular weight 210.07 g/mol. IUPAC: 3-[(4-methylphenyl)methylsulfanyl]propanoic acid.
Chemical Property Profile of 3-(4-Methyl-benzylsulfanyl)-propionic acid
Property Insights of 3-(4-Methyl-benzylsulfanyl)-propionic acid
The XLogP value of 2.70292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methyl-benzylsulfanyl)-propionic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Methyl-benzylsulfanyl)-propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methyl-benzylsulfanyl)-propionic acid has 1 hydrogen bond donor(s) and 2 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-(4-Methyl-benzylsulfanyl)-propionic acid?
The CAS number of 3-(4-Methyl-benzylsulfanyl)-propionic acid is 78981-22-3.
What is the molecular formula of 3-(4-Methyl-benzylsulfanyl)-propionic acid?
The molecular formula of 3-(4-Methyl-benzylsulfanyl)-propionic acid is C11H14O2S.
What is the molecular weight of 3-(4-Methyl-benzylsulfanyl)-propionic acid?
The molecular weight of 3-(4-Methyl-benzylsulfanyl)-propionic acid is 210.07 g/mol.
Where can I buy 3-(4-Methyl-benzylsulfanyl)-propionic acid?
You can request a quote for 3-(4-Methyl-benzylsulfanyl)-propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methyl-benzylsulfanyl)-propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methyl-benzylsulfanyl)-propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.