6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-85-0) is a chemical compound with molecular formula C21H27NO3S and molecular weight 373.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone
Also Known As: 6-tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-Amino-6-tert-butyl-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-(3,5-dimethoxy-phenyl)-methanone, (2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone, (2-amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone
| Molecular Formula | C21H27NO3S |
|---|---|
| Molecular Weight | 373.17 g/mol |
| LogP | 4.7295 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 373.17117 |
| Heavy Atoms | 26 |
| Complexity | 810.2622 |
Chemical Identifiers
| CAS Number | 793678-85-0 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC(=C2C(=O)C3=CC(=CC(=C3)OC)OC)N |
Product Overview
6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-85-0), with molecular formula C21H27NO3S and molecular weight 373.17 g/mol. IUPAC: (2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone.
Chemical Property Profile of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 4.7295 indicates that 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine. Following Lipinski's Rule of Five, 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine 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 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 793678-85-0.
What is the molecular formula of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C21H27NO3S.
What is the molecular weight of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 373.17 g/mol.
Where can I buy 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.