Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride
TL;DR: Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride (CAS 85462-87-9) is a chemical compound with molecular formula C16H26ClNO4S and molecular weight 363.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-(tert-butylamino)-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-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride, 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-, 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid hydrochloride, Benzo thiophene-2-carboxylicacid,4,5,6,7-tetrahydro-3-(3-( -,hydrochloride, 3-[3-(tert-butylamino)-2-hydroxypropoxy]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid,hydrochloride
| Molecular Formula | C16H26ClNO4S |
|---|---|
| Molecular Weight | 363.13 g/mol |
| LogP | 2.8747 |
| Topological Polar Surface Area | 78.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.1271 |
| Heavy Atoms | 23 |
| Complexity | 538.9179 |
Chemical Identifiers
| CAS Number | 85462-87-9 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=C(SC2=C1CCCC2)C(=O)O)O.Cl |
Product Overview
Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride (CAS 85462-87-9), with molecular formula C16H26ClNO4S and molecular weight 363.13 g/mol. IUPAC: 3-[3-(tert-butylamino)-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-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride
Property Insights of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride
The XLogP value of 2.8747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride. The TPSA of 78.79 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-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride. Following Lipinski's Rule of Five, Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride has 3 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-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The CAS number of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride is 85462-87-9.
What is the molecular formula of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The molecular formula of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride is C16H26ClNO4S.
What is the molecular weight of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
The molecular weight of Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride is 363.13 g/mol.
Where can I buy Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride?
You can request a quote for Benzo(b)thiophene-2-carboxylic acid, 4,5,6,7-tetrahydro-3-(3-((1,1-dimethylethyl)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-((1,1-dimethylethyl)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-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.