2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid
TL;DR: 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid (CAS 83237-49-4) is a chemical compound with molecular formula C17H16O4S and molecular weight 316.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(carboxymethyl)-4-phenylsulfanylphenyl]propanoic acid
Also Known As: 5-(1-Carboxyethyl)-2-(phenylthio)phenylacetic acid, 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid, 2-(3-(Carboxymethyl)-4-(phenylthio)-phenyl)propanoic Acid, 1-(4-Ffluorophenyl)cyclopropylamine, R728
| Molecular Formula | C17H16O4S |
|---|---|
| Molecular Weight | 316.08 g/mol |
| LogP | 3.653 |
| Topological Polar Surface Area | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 316.07693 |
| Heavy Atoms | 22 |
| Complexity | 682.31323 |
Chemical Identifiers
| CAS Number | 83237-49-4 |
|---|---|
| SMILES | CC(C1=CC(=C(C=C1)SC2=CC=CC=C2)CC(=O)O)C(=O)O |
Product Overview
2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid (CAS 83237-49-4), with molecular formula C17H16O4S and molecular weight 316.08 g/mol. IUPAC: 2-[3-(carboxymethyl)-4-phenylsulfanylphenyl]propanoic acid.
Chemical Property Profile of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid
Property Insights of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid
The XLogP value of 3.653 indicates that 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid. Following Lipinski's Rule of Five, 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid has 2 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-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid?
The CAS number of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid is 83237-49-4.
What is the molecular formula of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid?
The molecular formula of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid is C17H16O4S.
What is the molecular weight of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid?
The molecular weight of 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid is 316.08 g/mol.
Where can I buy 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid?
You can request a quote for 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic 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-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(Carboxymethyl)-4-(phenylthio)phenyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.