![3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid structure](/static/products/3853/385376-81-8.webp)
3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
TL;DR: 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid (CAS 385376-81-8) is a chemical compound with molecular formula C20H19NO2S and molecular weight 337.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(2-methylsulfanylphenyl)-5-phenylpyrrol-2-yl]propanoic acid
Also Known As: A2530/0107589, 3-[1-(2-methylthiophenyl)-5-phenylpyrrol-2-yl]propanoic acid, 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid, 3-[1-(2-methylsulfanylphenyl)-5-phenylpyrrol-2-yl]propanoic acid, 3-(1-(2-(methylthio)phenyl)-5-phenyl-1H-pyrrol-2-yl)propanoic acid
| Molecular Formula | C20H19NO2S |
|---|---|
| Molecular Weight | 337.11 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 337.11365 |
| Heavy Atoms | 24 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 385376-81-8 |
|---|---|
| SMILES | CSC1=CC=CC=C1N2C(=CC=C2C3=CC=CC=C3)CCC(=O)O |
| InChIKey | KTZDSRRQWHXUBX-UHFFFAOYSA-N |
Product Overview
3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid (CAS 385376-81-8), with molecular formula C20H19NO2S and molecular weight 337.11 g/mol. IUPAC: 3-[1-(2-methylsulfanylphenyl)-5-phenylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
Property Insights of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid
The XLogP value of 4.3 indicates that 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid. Following Lipinski's Rule of Five, 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic 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 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid?
The CAS number of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid is 385376-81-8.
What is the molecular formula of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid?
The molecular formula of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid is C20H19NO2S.
What is the molecular weight of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid?
The molecular weight of 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid is 337.11 g/mol.
Where can I buy 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid?
You can request a quote for 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}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-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{1-[2-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrol-2-yl}propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.