2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid
TL;DR: 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid (CAS 94292-03-2) is a chemical compound with molecular formula C17H16O3S and molecular weight 300.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylsulfanylbenzoyl)phenyl]propanoic acid
Also Known As: EINECS 304-932-1, 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid, 2-[3-[4-(Methylthio)benzoyl]phenyl]propionic acid, 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanoic acid, 2-{3-[4-(METHYLSULFANYL)BENZOYL]PHENYL}PROPANOIC ACID
| Molecular Formula | C17H16O3S |
|---|---|
| Molecular Weight | 300.08 g/mol |
| LogP | 3.8276 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 300.082 |
| Heavy Atoms | 21 |
| Complexity | 661.99036 |
Chemical Identifiers
| CAS Number | 94292-03-2 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=C(C=C2)SC)C(=O)O |
Product Overview
2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid (CAS 94292-03-2), with molecular formula C17H16O3S and molecular weight 300.08 g/mol. IUPAC: 2-[3-(4-methylsulfanylbenzoyl)phenyl]propanoic acid.
Chemical Property Profile of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid
Property Insights of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid
The XLogP value of 3.8276 indicates that 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid has 1 hydrogen bond donor(s) and 3 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 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid?
The CAS number of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid is 94292-03-2.
What is the molecular formula of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid?
The molecular formula of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid is C17H16O3S.
What is the molecular weight of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid?
The molecular weight of 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid is 300.08 g/mol.
Where can I buy 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid?
You can request a quote for 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-(Methylthio)benzoyl)phenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.