6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793716-16-2) is a chemical compound with molecular formula C20H25NOS and molecular weight 327.17 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)-(4-methylphenyl)methanone
Also Known As: 6-tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-methylphenyl)methanone, (2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methylphenyl)methanone, (2-amino-6-tert-butyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(p-tolyl)methanone, 107-385-5
| Molecular Formula | C20H25NOS |
|---|---|
| Molecular Weight | 327.17 g/mol |
| LogP | 5.02072 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.16568 |
| Heavy Atoms | 23 |
| Complexity | 734.23755 |
Chemical Identifiers
| CAS Number | 793716-16-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=C(SC3=C2CCC(C3)C(C)(C)C)N |
Product Overview
6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793716-16-2), with molecular formula C20H25NOS and molecular weight 327.17 g/mol. IUPAC: (2-amino-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-methylphenyl)methanone.
Chemical Property Profile of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 5.02072 indicates that 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.09 Ų, 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 793716-16-2.
What is the molecular formula of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C20H25NOS.
What is the molecular weight of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 327.17 g/mol.
Where can I buy 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 6-Tert-butyl-3-(4-methylbenzoyl)-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-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 6-Tert-butyl-3-(4-methylbenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.