Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester (CAS 78033-88-2) is a chemical compound with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(dimethylamino)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester, 2-(dimethylamino)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-dimethylaminoethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BRN 5140517, RefChem:326232
| Molecular Formula | C20H24N2O3S |
|---|---|
| Molecular Weight | 372.15 g/mol |
| LogP | 3.5976 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.15076 |
| Heavy Atoms | 26 |
| Complexity | 783.854 |
Chemical Identifiers
| CAS Number | 78033-88-2 |
|---|---|
| SMILES | CN(C)CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3 |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester (CAS 78033-88-2), with molecular formula C20H24N2O3S and molecular weight 372.15 g/mol. IUPAC: 2-(dimethylamino)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester
The XLogP value of 3.5976 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester has 1 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 Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester is 78033-88-2.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester is C20H24N2O3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester is 372.15 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl 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, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(dimethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.