![Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester structure](/static/products/3005/300557-78-2.webp)
Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester
TL;DR: Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester (CAS 300557-78-2) is a chemical compound with molecular formula C26H30N2O6S2 and molecular weight 530.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester, Benzo[b]thiophene-3-carboxylic acid, 2,2a(2)-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester, ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C26H30N2O6S2 |
|---|---|
| Molecular Weight | 530.15 g/mol |
| LogP | 5.054 |
| Topological Polar Surface Area | 110.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 530.15454 |
| Heavy Atoms | 36 |
| Complexity | 1117.3655 |
Chemical Identifiers
| CAS Number | 300557-78-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C=CC(=O)NC3=C(C4=C(S3)CCCC4)C(=O)OCC |
Product Overview
Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester (CAS 300557-78-2), with molecular formula C26H30N2O6S2 and molecular weight 530.15 g/mol. IUPAC: ethyl 2-[[4-[(3-ethoxycarbonyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester
Property Insights of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester
The XLogP value of 5.054 indicates that Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester. Following Lipinski's Rule of Five, Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, 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'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester?
The CAS number of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester is 300557-78-2.
What is the molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester?
The molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester is C26H30N2O6S2.
What is the molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester?
The molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester is 530.15 g/mol.
Where can I buy Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester?
You can request a quote for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, 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'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-carboxylic acid, 2,2'-[(1,4-dioxo-2-butene-1,4-diyl)diimino]bis[4,5,6,7-tetrahydro-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.