![Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) structure](/static/products/588/588714-79-8.png)
Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)
TL;DR: Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) (CAS 588714-79-8) is a chemical compound with molecular formula C21H21N3O3S3 and molecular weight 459.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI), methyl 2-({[(benzo[b]thiophen-3-ylcarbonylamino)amino]thioxomethyl}amino)-6-me thyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, Methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazino]carbothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzo[b]thiophene-3-carboxylate, methyl 2-({[2-(1-benzothiophen-3-ylcarbonyl)hydrazinyl]carbonothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
| Molecular Formula | C21H21N3O3S3 |
|---|---|
| Molecular Weight | 459.07 g/mol |
| LogP | 4.5056 |
| Topological Polar Surface Area | 79.46 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 459.0745 |
| Heavy Atoms | 30 |
| Complexity | 1135.167 |
Chemical Identifiers
| CAS Number | 588714-79-8 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NNC(=O)C3=CSC4=CC=CC=C43 |
Product Overview
Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) (CAS 588714-79-8), with molecular formula C21H21N3O3S3 and molecular weight 459.07 g/mol. IUPAC: methyl 2-[(1-benzothiophene-3-carbonylamino)carbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)
Property Insights of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)
The XLogP value of 4.5056 indicates that Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.46 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI). Following Lipinski's Rule of Five, Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) has 3 hydrogen bond donor(s) and 6 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 Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)?
The CAS number of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) is 588714-79-8.
What is the molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)?
The molecular formula of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) is C21H21N3O3S3.
What is the molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)?
The molecular weight of Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) is 459.07 g/mol.
Where can I buy Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)?
You can request a quote for Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) 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-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Benzo[b]thiophene-3-carboxylic acid, 2-[[[2-(benzo[b]thien-3-ylcarbonyl)hydrazino]thioxomethyl]amino]-4,5,6,7-tetrahydro-6-methyl-, methyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.