Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride (CAS 85179-97-1) is a chemical compound with molecular formula C15H18ClNO3S and molecular weight 327.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-morpholin-4-ium-4-ylethyl 1-benzothiophene-3-carboxylate chloride
Also Known As: 2-(4-Morpholinyl)ethyl benzo(b)thiophene-3-carboxylate hydrochloride, BENZO(b)THIOPHENE-3-CARBOXYLIC ACID, 2-(4-MORPHOLINYL)ETHYL ESTER, HYDROCHLORIDE, 2-morpholin-4-ium-4-ylethyl 1-benzothiophene-3-carboxylate chloride, RefChem:1078818
| Molecular Formula | C15H18ClNO3S |
|---|---|
| Molecular Weight | 327.07 g/mol |
| LogP | -2.02 |
| Topological Polar Surface Area | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.06958 |
| Heavy Atoms | 21 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 85179-97-1 |
|---|---|
| SMILES | C1COCC[NH+]1CCOC(=O)C2=CSC3=CC=CC=C32.[Cl-] |
| InChIKey | UMWVRWQPVLEVRH-UHFFFAOYSA-N |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride (CAS 85179-97-1), with molecular formula C15H18ClNO3S and molecular weight 327.07 g/mol. IUPAC: 2-morpholin-4-ium-4-ylethyl 1-benzothiophene-3-carboxylate chloride.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride
The XLogP value of -2.02 indicates that Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride. Following Lipinski's Rule of Five, Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride 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, 2-(4-morpholinyl)ethyl ester, hydrochloride?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride is 85179-97-1.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride is C15H18ClNO3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride is 327.07 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride 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-(4-morpholinyl)ethyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 2-(4-morpholinyl)ethyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.