![3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid structure](/static/products/6937/693798-37-7.webp)
3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
TL;DR: 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 693798-37-7) is a chemical compound with molecular formula C12H13N3O2S2 and molecular weight 295.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-(carbamothioylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
Also Known As: 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid, 3-(5-(thiophen-2-yl)-1-thioureido-1H-pyrrol-2-yl)propanoic acid, 3-[1-(carbamothioylamino)-5-thiophen-2-yl-pyrrol-2-yl]propanoic Acid, 3-[1-(carbamothioylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid
| Molecular Formula | C12H13N3O2S2 |
|---|---|
| Molecular Weight | 295.04 g/mol |
| LogP | 2.0209 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.04492 |
| Heavy Atoms | 19 |
| Complexity | 590.1463 |
Chemical Identifiers
| CAS Number | 693798-37-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=CC=C(N2NC(=S)N)CCC(=O)O |
Product Overview
3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid (CAS 693798-37-7), with molecular formula C12H13N3O2S2 and molecular weight 295.04 g/mol. IUPAC: 3-[1-(carbamothioylamino)-5-thiophen-2-ylpyrrol-2-yl]propanoic acid.
Chemical Property Profile of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
Property Insights of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid
The XLogP value of 2.0209 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid has 3 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-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The CAS number of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 693798-37-7.
What is the molecular formula of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular formula of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is C12H13N3O2S2.
What is the molecular weight of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
The molecular weight of 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid is 295.04 g/mol.
Where can I buy 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
You can request a quote for 3-[1-(carbamothioylamino)-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-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[1-(carbamothioylamino)-5-(thiophen-2-yl)-1H-pyrrol-2-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.