![3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid structure](/static/products/5081/508185-14-6.webp)
3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
TL;DR: 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 508185-14-6) is a chemical compound with molecular formula C20H15ClN2O3S2 and molecular weight 430.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid, 3-[1-[(3-chlorobenzothiophene-2-carbonyl)amino]-5-thiophen-2-yl-pyrrol-2-yl]propanoic Acid, 3-(1-(3-chlorobenzo[b]thiophene-2-carboxamido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl)propanoic acid, 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid, 3-[1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]amino}-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
| Molecular Formula | C20H15ClN2O3S2 |
|---|---|
| Molecular Weight | 430.02 g/mol |
| LogP | 5.4858 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.02127 |
| Heavy Atoms | 28 |
| Complexity | 1161.7719 |
Chemical Identifiers
| CAS Number | 508185-14-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(S2)C(=O)NN3C(=CC=C3C4=CC=CS4)CCC(=O)O)Cl |
Product Overview
3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 508185-14-6), with molecular formula C20H15ClN2O3S2 and molecular weight 430.02 g/mol. IUPAC: 3-[1-[(3-chloro-1-benzothiophene-2-carbonyl)amino]-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Property Insights of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
The XLogP value of 5.4858 indicates that 3-[1-(3-chloro-1-benzothiophene-2-amido)-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-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The CAS number of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 508185-14-6.
What is the molecular formula of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular formula of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is C20H15ClN2O3S2.
What is the molecular weight of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular weight of 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 430.02 g/mol.
Where can I buy 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
You can request a quote for 3-[1-(3-chloro-1-benzothiophene-2-amido)-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-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(3-chloro-1-benzothiophene-2-amido)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.