![4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid structure](/static/products/5158/515848-16-5.webp)
4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
TL;DR: 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid (CAS 515848-16-5) is a chemical compound with molecular formula C20H21NO5S and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid
Also Known As: 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid, benzo[b]thiophene-3-carboxylic acid, 2-[(3-carboxy-1-oxopropyl)amino]-4,5,6,7-tetrahydro-6-phenyl-, 3-methyl ester, 3-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)carbamoyl]propanoic Acid, 3-{[3-(METHOXYCARBONYL)-6-PHENYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHEN-2-YL]CARBAMOYL}PROPANOIC ACID, 3-{N-[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl]car bamoyl}propanoic acid
| Molecular Formula | C20H21NO5S |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 3.6105 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 387.11404 |
| Heavy Atoms | 27 |
| Complexity | 858.7571 |
Chemical Identifiers
| CAS Number | 515848-16-5 |
|---|---|
| SMILES | COC(=O)C1=C(SC2=C1CCC(C2)C3=CC=CC=C3)NC(=O)CCC(=O)O |
Product Overview
4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid (CAS 515848-16-5), with molecular formula C20H21NO5S and molecular weight 387.11 g/mol. IUPAC: 4-[(3-methoxycarbonyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobutanoic acid.
Chemical Property Profile of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
Property Insights of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid
The XLogP value of 3.6105 indicates that 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-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)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid?
The CAS number of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid is 515848-16-5.
What is the molecular formula of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid?
The molecular formula of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid is C20H21NO5S.
What is the molecular weight of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid?
The molecular weight of 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid is 387.11 g/mol.
Where can I buy 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid?
You can request a quote for 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-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)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[3-(methoxycarbonyl)-6-phenyl-4,5,6,7-tetrahydro-1-benzothien-2-yl]amino}-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.