![4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid structure](/static/products/3545/354547-32-3.webp)
4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid
TL;DR: 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid (CAS 354547-32-3) is a chemical compound with molecular formula C16H21NO5S and molecular weight 339.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid, 4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid, 4-{[3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl]amino}-4-oxobutanoic acid, cycloocta[b]thiophene-3-carboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7,8,9-hexahydro-, 3-methyl ester, 3-[(11-methoxycarbonyl-9-thiabicyclo[6.3.0]undeca-10,12-dien-10-yl)carbamoyl]propanoic Acid
| Molecular Formula | C16H21NO5S |
|---|---|
| Molecular Weight | 339.11 g/mol |
| LogP | 2.997 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.11404 |
| Heavy Atoms | 23 |
| Complexity | 607.85693 |
Chemical Identifiers
| CAS Number | 354547-32-3 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCCCCC2)NC(=O)CCC(=O)O |
Product Overview
4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid (CAS 354547-32-3), with molecular formula C16H21NO5S and molecular weight 339.11 g/mol. IUPAC: 4-[(3-methoxycarbonyl-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid
Property Insights of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid
The XLogP value of 2.997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 5 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 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The CAS number of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid is 354547-32-3.
What is the molecular formula of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular formula of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid is C16H21NO5S.
What is the molecular weight of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
The molecular weight of 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid is 339.11 g/mol.
Where can I buy 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
You can request a quote for 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((3-(methoxycarbonyl)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.