![3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid structure](/static/products/661/6612-45-9.png)
3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid
TL;DR: 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid (CAS 6612-45-9) 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-(4-tert-butylphenyl)sulfanylpropanoic acid
Also Known As: 3-[(4-tert-butylphenyl)sulfanyl]propanoic acid, 3-(4-tert-butylphenyl)sulfanylpropanoic Acid, 3-(4-TERT-BUTYL-PHENYLSULFANYL)-PROPIONIC ACID
| Molecular Formula | C13H18O2S |
|---|---|
| Molecular Weight | 238.10 g/mol |
| LogP | 3.5509 |
| 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 | 349.1905 |
Chemical Identifiers
| CAS Number | 6612-45-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)SCCC(=O)O |
Product Overview
3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid (CAS 6612-45-9), with molecular formula C13H18O2S and molecular weight 238.10 g/mol. IUPAC: 3-(4-tert-butylphenyl)sulfanylpropanoic acid.
Chemical Property Profile of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid
Property Insights of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid
The XLogP value of 3.5509 indicates that 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Tert-butylphenyl)sulfanyl]propanoic 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-Tert-butylphenyl)sulfanyl]propanoic acid?
The CAS number of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid is 6612-45-9.
What is the molecular formula of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid?
The molecular formula of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid is C13H18O2S.
What is the molecular weight of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid?
The molecular weight of 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid is 238.10 g/mol.
Where can I buy 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid?
You can request a quote for 3-[(4-Tert-butylphenyl)sulfanyl]propanoic 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-Tert-butylphenyl)sulfanyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Tert-butylphenyl)sulfanyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.