![3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid structure](/static/products/7178/717894-58-1.webp)
3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
TL;DR: 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 717894-58-1) is a chemical compound with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(4-tert-butylbenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid, 3-(1-(4-(tert-butyl)benzamido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid, 3-[1-[(4-tert-butylbenzoyl)amino]-5-(2-thienyl)-1H-pyrrol-2-yl]propanoic acid, 3-[1-[(4-tert-butylbenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
| Molecular Formula | C22H24N2O3S |
|---|---|
| Molecular Weight | 396.15 g/mol |
| LogP | 4.9152 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 396.15076 |
| Heavy Atoms | 28 |
| Complexity | 964.38306 |
Chemical Identifiers
| CAS Number | 717894-58-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NN2C(=CC=C2C3=CC=CS3)CCC(=O)O |
Product Overview
3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 717894-58-1), with molecular formula C22H24N2O3S and molecular weight 396.15 g/mol. IUPAC: 3-[1-[(4-tert-butylbenzoyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Property Insights of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
The XLogP value of 4.9152 indicates that 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-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-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-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-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The CAS number of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 717894-58-1.
What is the molecular formula of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular formula of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is C22H24N2O3S.
What is the molecular weight of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular weight of 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 396.15 g/mol.
Where can I buy 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
You can request a quote for 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-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-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-{[(4-tert-butylphenyl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.