![3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid structure](/static/products/871/871544-58-0.png)
3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid
TL;DR: 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid (CAS 871544-58-0) is a chemical compound with molecular formula C13H17NO4S and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid
Also Known As: 3-[4-(pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid, 6-Fluoro-2-methylquinoline, 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic Acid, 3-[4-(pyrrolidine-1-sulfonyl)phenyl]propanoic acid, 3-(4-(Pyrrolidin-1-ylsulfonyl)phenyl)propanoic acid
| Molecular Formula | C13H17NO4S |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 1.4883 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.08783 |
| Heavy Atoms | 19 |
| Complexity | 544.51086 |
Chemical Identifiers
| CAS Number | 871544-58-0 |
|---|---|
| SMILES | C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)CCC(=O)O |
Product Overview
3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid (CAS 871544-58-0), with molecular formula C13H17NO4S and molecular weight 283.09 g/mol. IUPAC: 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoic acid.
Chemical Property Profile of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid
Property Insights of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid
The XLogP value of 1.4883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid. Following Lipinski's Rule of Five, 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]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-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid?
The CAS number of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid is 871544-58-0.
What is the molecular formula of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid?
The molecular formula of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid is C13H17NO4S.
What is the molecular weight of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid?
The molecular weight of 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid is 283.09 g/mol.
Where can I buy 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid?
You can request a quote for 3-[4-(Pyrrolidin-1-ylsulfonyl)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 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Pyrrolidin-1-ylsulfonyl)phenyl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.