![Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester structure](/static/products/4382/438216-35-4.webp)
Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester
TL;DR: Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester (CAS 438216-35-4) is a chemical compound with molecular formula C38H42N2O5S2 and molecular weight 670.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2-diphenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester, diethyl 2,2'-[(1-oxo-2,2-diphenylethane-1,2-diyl)diimino]bis(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate), ethyl 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2-diphenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, Benzo[b]thiophene-3-carboxylic acid, 2,2a(2)-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester, diethyl 2,2'-[(1-oxo-2,2-diphenyl-1,2-ethanediyl)diimino]bis(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate)
| Molecular Formula | C38H42N2O5S2 |
|---|---|
| Molecular Weight | 670.25 g/mol |
| LogP | 8.407 |
| Topological Polar Surface Area | 93.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 670.25354 |
| Heavy Atoms | 47 |
| Complexity | 1721.8325 |
Chemical Identifiers
| CAS Number | 438216-35-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)NC5=C(C6=C(S5)CC(CC6)C)C(=O)OCC |
Product Overview
Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester (CAS 438216-35-4), with molecular formula C38H42N2O5S2 and molecular weight 670.25 g/mol. IUPAC: ethyl 2-[[2-[(3-ethoxycarbonyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2,2-diphenylacetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester
Property Insights of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester
The XLogP value of 8.407 indicates that Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester. Following Lipinski's Rule of Five, Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester?
The CAS number of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester is 438216-35-4.
What is the molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester?
The molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester is C38H42N2O5S2.
What is the molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester?
The molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester is 670.25 g/mol.
Where can I buy Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester?
You can request a quote for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(2-oxo-1,1-diphenyl-1,2-ethanediyl)diimino]bis[4,5,6,7-tetrahydro-6-methyl-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.