Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester (CAS 78033-87-1) is a chemical compound with molecular formula C18H19NO4S and molecular weight 345.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethyl 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-hydroxyethyl ester, 2-hydroxyethyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, 2-hydroxyethyl 2-(benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, BRN 5121018, RefChem:326233
| Molecular Formula | C18H19NO4S |
|---|---|
| Molecular Weight | 345.10 g/mol |
| LogP | 3.0283 |
| Topological Polar Surface Area | 75.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.1035 |
| Heavy Atoms | 24 |
| Complexity | 738.97705 |
Chemical Identifiers
| CAS Number | 78033-87-1 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC=CC=C3)C(=O)OCCO |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester (CAS 78033-87-1), with molecular formula C18H19NO4S and molecular weight 345.10 g/mol. IUPAC: 2-hydroxyethyl 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-hydroxyethyl ester
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester
The XLogP value of 3.0283 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester has 2 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-hydroxyethyl ester?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester is 78033-87-1.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester is C18H19NO4S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester is 345.10 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl 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-hydroxyethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 2-hydroxyethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.