Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-
TL;DR: Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- (CAS 72462-87-4) is a chemical compound with molecular formula C13H18O2S and molecular weight 238.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,3,5,6-tetramethylphenyl)sulfanylpropanoic acid
Also Known As: Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-, 3-((2,3,5,6-Tetramethylphenyl)thio)propionic acid, 3-(2,3,5,6-tetramethylphenyl)sulfanylpropanoic acid, 3-[(2,3,5,6-Tetramethylphenyl)sulfanyl]propanoic acid, BRN 2456567
| Molecular Formula | C13H18O2S |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.48708 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 238.10275 |
| Heavy Atoms | 16 |
| Complexity | 384.63388 |
Chemical Identifiers
| CAS Number | 72462-87-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)SCCC(=O)O)C)C |
Product Overview
Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- (CAS 72462-87-4), with molecular formula C13H18O2S and molecular weight 238.10 g/mol. IUPAC: 3-(2,3,5,6-tetramethylphenyl)sulfanylpropanoic acid.
Chemical Property Profile of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-
Property Insights of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-
The XLogP value of 3.48708 indicates that Propionic acid, 3-((2,3,5,6-tetramethylphenyl)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, Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propionic acid, 3-((2,3,5,6-tetramethylphenyl)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 Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-?
The CAS number of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- is 72462-87-4.
What is the molecular formula of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-?
The molecular formula of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- is C13H18O2S.
What is the molecular weight of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-?
The molecular weight of Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- is 238.10 g/mol.
Where can I buy Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-?
You can request a quote for Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)-?
Yes, KEHONG BIO provides custom synthesis services for Propionic acid, 3-((2,3,5,6-tetramethylphenyl)thio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.