Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-
TL;DR: Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- (CAS 129602-93-3) is a chemical compound with molecular formula C12H16O2S and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-propan-2-ylsulfanylphenyl)propanoic acid
Also Known As: 2-(4-(2-Propylthio)phenyl)propionic acid, 2-(4-propan-2-ylsulfanylphenyl)propanoic acid, alpha-Methyl-4-((1-methylethyl)thio)benzeneacetic acid, 2-[4-(isopropylsulfanyl)phenyl]propanoic acid, Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-
| Molecular Formula | C12H16O2S |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | 3.3752 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.0871 |
| Heavy Atoms | 15 |
| Complexity | 329.9803 |
Chemical Identifiers
| CAS Number | 129602-93-3 |
|---|---|
| SMILES | CC(C)SC1=CC=C(C=C1)C(C)C(=O)O |
Product Overview
Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- (CAS 129602-93-3), with molecular formula C12H16O2S and molecular weight 224.09 g/mol. IUPAC: 2-(4-propan-2-ylsulfanylphenyl)propanoic acid.
Chemical Property Profile of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-
Property Insights of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-
The XLogP value of 3.3752 indicates that Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- 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 Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-?
The CAS number of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- is 129602-93-3.
What is the molecular formula of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-?
The molecular formula of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- is C12H16O2S.
What is the molecular weight of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-?
The molecular weight of Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- is 224.09 g/mol.
Where can I buy Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-?
You can request a quote for Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Benzeneacetic acid, alpha-methyl-4-((1-methylethyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.