![3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid structure](/static/products/836/836665-87-3.png)
3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
TL;DR: 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 836665-87-3) is a chemical compound with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid, 3-(1-(2-oxo-2-(p-tolylamino)ethyl)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid, 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid, 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid, 3-(1-{[(4-METHYLPHENYL)CARBAMOYL]METHYL}-5-(THIOPHEN-2-YL)-1H-PYRROL-2-YL)PROPANOIC ACID
| Molecular Formula | C20H20N2O3S |
|---|---|
| Molecular Weight | 368.12 g/mol |
| LogP | 4.18092 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.11948 |
| Heavy Atoms | 26 |
| Complexity | 895.7966 |
Chemical Identifiers
| CAS Number | 836665-87-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=O)CN2C(=CC=C2C3=CC=CS3)CCC(=O)O |
Product Overview
3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 836665-87-3), with molecular formula C20H20N2O3S and molecular weight 368.12 g/mol. IUPAC: 3-[1-[2-(4-methylanilino)-2-oxoethyl]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Property Insights of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
The XLogP value of 4.18092 indicates that 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-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 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]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 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The CAS number of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 836665-87-3.
What is the molecular formula of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular formula of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is C20H20N2O3S.
What is the molecular weight of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular weight of 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 368.12 g/mol.
Where can I buy 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
You can request a quote for 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-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-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-{2-[(4-methylphenyl)amino]-2-oxoethyl}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.