Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester (CAS 78033-89-3) is a chemical compound with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)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-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-diethylaminoethyl 2-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-diethylaminoethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BRN 5151259
| Molecular Formula | C22H28N2O3S |
|---|---|
| Molecular Weight | 400.18 g/mol |
| LogP | 4.3778 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 400.18207 |
| Heavy Atoms | 28 |
| Complexity | 812.6894 |
Chemical Identifiers
| CAS Number | 78033-89-3 |
|---|---|
| SMILES | CCN(CC)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-(diethylamino)ethyl ester (CAS 78033-89-3), with molecular formula C22H28N2O3S and molecular weight 400.18 g/mol. IUPAC: 2-(diethylamino)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-(diethylamino)ethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester
The XLogP value of 4.3778 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)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-(diethylamino)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-(diethylamino)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-(diethylamino)ethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester is 78033-89-3.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester is C22H28N2O3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester is 400.18 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)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-(diethylamino)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-(diethylamino)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.