![3-[4-(Methylsulfanyl)phenyl]phenylacetic acid structure](/static/products/1334/1334500-01-4.webp)
3-[4-(Methylsulfanyl)phenyl]phenylacetic acid
TL;DR: 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid (CAS 1334500-01-4) is a chemical compound with molecular formula C15H14O2S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylsulfanylphenyl)phenyl]acetic acid
Also Known As: 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid, 2-(4'-(Methylthio)-[1,1'-biphenyl]-3-yl)acetic acid, 7,8,12-Trimethylbenz(a)anthracen, 2-[3-(4-methylsulfanylphenyl)phenyl]acetic acid, 6084AA
| Molecular Formula | C15H14O2S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 3.7026 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.07144 |
| Heavy Atoms | 18 |
| Complexity | 546.675 |
Chemical Identifiers
| CAS Number | 1334500-01-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC=CC(=C2)CC(=O)O |
Product Overview
3-[4-(Methylsulfanyl)phenyl]phenylacetic acid (CAS 1334500-01-4), with molecular formula C15H14O2S and molecular weight 258.07 g/mol. IUPAC: 2-[3-(4-methylsulfanylphenyl)phenyl]acetic acid.
Chemical Property Profile of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid
Property Insights of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid
The XLogP value of 3.7026 indicates that 3-[4-(Methylsulfanyl)phenyl]phenylacetic 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-(Methylsulfanyl)phenyl]phenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Methylsulfanyl)phenyl]phenylacetic 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-(Methylsulfanyl)phenyl]phenylacetic acid?
The CAS number of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid is 1334500-01-4.
What is the molecular formula of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid?
The molecular formula of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid is C15H14O2S.
What is the molecular weight of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid?
The molecular weight of 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid is 258.07 g/mol.
Where can I buy 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid?
You can request a quote for 3-[4-(Methylsulfanyl)phenyl]phenylacetic 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-(Methylsulfanyl)phenyl]phenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Methylsulfanyl)phenyl]phenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.