3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid
TL;DR: 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid (CAS 677018-60-9) is a chemical compound with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: 3-[1-(4-chlorophenyl)-5-thiophen-2-yl-pyrrol-2-yl]propanoic Acid, 3-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid, 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid, 3-[1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
| Molecular Formula | C17H14ClNO2S |
|---|---|
| Molecular Weight | 331.04 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.04337 |
| Heavy Atoms | 22 |
| Complexity | 387.0 |
Chemical Identifiers
| CAS Number | 677018-60-9 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC=C(N2C3=CC=C(C=C3)Cl)CCC(=O)O |
| InChIKey | RGNAXOOBVCUXPQ-UHFFFAOYSA-N |
Product Overview
3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid (CAS 677018-60-9), with molecular formula C17H14ClNO2S and molecular weight 331.04 g/mol. IUPAC: 3-[1-(4-chlorophenyl)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid
Property Insights of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid
The XLogP value of 4.1 indicates that 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-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-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid?
The CAS number of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid is 677018-60-9.
What is the molecular formula of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid?
The molecular formula of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid is C17H14ClNO2S.
What is the molecular weight of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid?
The molecular weight of 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid is 331.04 g/mol.
Where can I buy 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid?
You can request a quote for 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-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-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(1-(4-chlorophenyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.