3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-82-7) is a chemical compound with molecular formula C16H16BrNOS and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone
Also Known As: 3-(4-bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-bromophenyl)methanone, (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone, (2-amino-6-methyl-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(4-bromophenyl)methanone, 100-376-7
| Molecular Formula | C16H16BrNOS |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 4.4486 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.0136 |
| Heavy Atoms | 20 |
| Complexity | 659.8616 |
Chemical Identifiers
| CAS Number | 793678-82-7 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)C3=CC=C(C=C3)Br)N |
Product Overview
3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-82-7), with molecular formula C16H16BrNOS and molecular weight 349.01 g/mol. IUPAC: (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone.
Chemical Property Profile of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 4.4486 indicates that 3-(4-Bromobenzoyl)-6-methyl-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, 3-(4-Bromobenzoyl)-6-methyl-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, 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has 1 hydrogen bond donor(s) and 3 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 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 793678-82-7.
What is the molecular formula of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C16H16BrNOS.
What is the molecular weight of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 349.01 g/mol.
Where can I buy 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-(4-Bromobenzoyl)-6-methyl-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 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobenzoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.