Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
TL;DR: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride (CAS 78033-91-7) is a chemical compound with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;hydrochloride
Also Known As: Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride, 3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate hydrochloride, 3-(Dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate--hydrogen chloride (1/1), 3-dimethylaminopropyl 2-benzamido-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate Hydrochloride, RefChem:326235
| Molecular Formula | C21H27ClN2O3S |
|---|---|
| Molecular Weight | 422.14 g/mol |
| LogP | 4.4095 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.1431 |
| Heavy Atoms | 28 |
| Complexity | 805.48206 |
Chemical Identifiers
| CAS Number | 78033-91-7 |
|---|---|
| SMILES | CN(C)CCCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC=CC=C3.Cl |
Product Overview
Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride (CAS 78033-91-7), with molecular formula C21H27ClN2O3S and molecular weight 422.14 g/mol. IUPAC: 3-(dimethylamino)propyl 2-benzamido-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;hydrochloride.
Chemical Property Profile of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
Property Insights of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride
The XLogP value of 4.4095 indicates that Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride 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)-, 3-(dimethylamino)propyl ester, monohydrochloride 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)-, 3-(dimethylamino)propyl ester, monohydrochloride 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)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The CAS number of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is 78033-91-7.
What is the molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The molecular formula of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is C21H27ClN2O3S.
What is the molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
The molecular weight of Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride is 422.14 g/mol.
Where can I buy Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride?
You can request a quote for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride 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)-, 3-(dimethylamino)propyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(b)thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-(benzoylamino)-, 3-(dimethylamino)propyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.