![[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate structure](/static/products/5654/5654-22-8.webp)
[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
TL;DR: [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CAS 5654-22-8) is a chemical compound with molecular formula C25H25NO7S and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
Also Known As: [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate|2-[(6-Methyl-3-{[(propan-2-yl)oxy]carbonyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl 4-oxo-4H-1-benzopyran-2-carboxylate
| Molecular Formula | C25H25NO7S |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 4.34 |
| Topological Polar Surface Area | 111.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.13516 |
| Heavy Atoms | 34 |
| Complexity | 1320.5356 |
Chemical Identifiers
| CAS Number | 5654-22-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)COC(=O)C3=CC(=O)C4=CC=CC=C4O3 |
Product Overview
[2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate (CAS 5654-22-8), with molecular formula C25H25NO7S and molecular weight 483.14 g/mol. IUPAC: [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate.
Chemical Property Profile of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
Property Insights of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate
The XLogP value of 4.34 indicates that [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.91 Ų falls within the moderate polarity range, balancing permeability and solubility for [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate. Following Lipinski's Rule of Five, [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate has 1 hydrogen bond donor(s) and 8 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 [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The CAS number of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is 5654-22-8.
What is the molecular formula of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The molecular formula of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is C25H25NO7S.
What is the molecular weight of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
The molecular weight of [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate is 483.14 g/mol.
Where can I buy [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
You can request a quote for [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for [2-[(6-methyl-3-propan-2-yloxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl] 4-oxochromene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.