3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid
TL;DR: 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid (CAS 796880-67-6) is a chemical compound with molecular formula C17H17NO5S and molecular weight 347.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]amino]-2-oxoethyl]sulfanylpropanoic acid
Also Known As: 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid, 3-[2-[[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]amino]-2-oxoethyl]sulfanylpropanoic acid, 3-[(2-{[2-(cyclopropylcarbonyl)-1-benzofuran-3-yl]amino}-2-oxoethyl)sulfanyl]propanoic acid
| Molecular Formula | C17H17NO5S |
|---|---|
| Molecular Weight | 347.08 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 347.08273 |
| Heavy Atoms | 24 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 796880-67-6 |
|---|---|
| SMILES | C1CC1C(=O)C2=C(C3=CC=CC=C3O2)NC(=O)CSCCC(=O)O |
| InChIKey | PNFKWHOMSDGOHC-UHFFFAOYSA-N |
Product Overview
3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid (CAS 796880-67-6), with molecular formula C17H17NO5S and molecular weight 347.08 g/mol. IUPAC: 3-[2-[[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]amino]-2-oxoethyl]sulfanylpropanoic acid.
Chemical Property Profile of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid
Property Insights of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid. Following Lipinski's Rule of Five, 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid has 2 hydrogen bond donor(s) and 6 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-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid?
The CAS number of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid is 796880-67-6.
What is the molecular formula of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid?
The molecular formula of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid is C17H17NO5S.
What is the molecular weight of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid?
The molecular weight of 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid is 347.08 g/mol.
Where can I buy 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid?
You can request a quote for 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)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-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-((2-(cyclopropanecarbonyl)benzofuran-3-yl)amino)-2-oxoethyl)thio)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.