3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
TL;DR: 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 404869-77-8) is a chemical compound with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-3-pyrrol-1-ylpropanoic acid
Also Known As: 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid, 3-(4-chlorophenyl)-3-pyrrol-1-ylpropanoic acid, 3-(4-chlorophenyl)-3-pyrrolylpropanoic acid, 3-(4-chlorophenyl)-3-pyrrol-1-yl-propanoic acid, 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoicacid
| Molecular Formula | C13H12ClNO2 |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 3.2056 |
| Topological Polar Surface Area | 42.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.05565 |
| Heavy Atoms | 17 |
| Complexity | 490.64783 |
Chemical Identifiers
| CAS Number | 404869-77-8 |
|---|---|
| SMILES | C1=CN(C=C1)C(CC(=O)O)C2=CC=C(C=C2)Cl |
Product Overview
3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid (CAS 404869-77-8), with molecular formula C13H12ClNO2 and molecular weight 249.06 g/mol. IUPAC: 3-(4-chlorophenyl)-3-pyrrol-1-ylpropanoic acid.
Chemical Property Profile of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
Property Insights of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid
The XLogP value of 3.2056 indicates that 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.23 Ų, 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid has 1 hydrogen bond donor(s) and 1 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-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The CAS number of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is 404869-77-8.
What is the molecular formula of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The molecular formula of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is C13H12ClNO2.
What is the molecular weight of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
The molecular weight of 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid is 249.06 g/mol.
Where can I buy 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
You can request a quote for 3-(4-chlorophenyl)-3-(1H-pyrrol-1-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-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chlorophenyl)-3-(1H-pyrrol-1-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.