Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride
TL;DR: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride (CAS 85462-89-1) is a chemical compound with molecular formula C22H30ClNO6S and molecular weight 471.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride
Also Known As: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride, 3-(3-{[2-(3,4-Dimethoxyphenyl)ethyl]amino}-2-hydroxypropoxy)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid--hydrogen chloride (1/1), 3-[3-[2- ethylamino]-2-hydroxy-propoxy]-4,5,6,7-tetrahydrobenzothiophene-2-carboxylicacidhydrochloride, 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid hydrochloride, 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid,hydrochloride
| Molecular Formula | C22H30ClNO6S |
|---|---|
| Molecular Weight | 471.15 g/mol |
| LogP | 3.3361 |
| Topological Polar Surface Area | 97.25 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 471.14822 |
| Heavy Atoms | 31 |
| Complexity | 871.9263 |
Chemical Identifiers
| CAS Number | 85462-89-1 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNCC(COC2=C(SC3=C2CCCC3)C(=O)O)O)OC.Cl |
Product Overview
Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride (CAS 85462-89-1), with molecular formula C22H30ClNO6S and molecular weight 471.15 g/mol. IUPAC: 3-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid;hydrochloride.
Chemical Property Profile of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride
Property Insights of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride
The XLogP value of 3.3361 indicates that Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.25 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride. Following Lipinski's Rule of Five, Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride has 3 hydrogen bond donor(s) and 7 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-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The CAS number of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride is 85462-89-1.
What is the molecular formula of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The molecular formula of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride is C22H30ClNO6S.
What is the molecular weight of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The molecular weight of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride is 471.15 g/mol.
Where can I buy Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
You can request a quote for Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, 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-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((2-(3,4-dimethoxyphenyl)ethyl)amino)-2-hydroxypropoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.