3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 247206-87-7) is a chemical compound with molecular formula C15H14BrNOS and molecular weight 335.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone
Also Known As: 3-(4-bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(4-bromophenyl)methanone, BAS 01842990, J1.385.109C, (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone
| Molecular Formula | C15H14BrNOS |
|---|---|
| Molecular Weight | 335.00 g/mol |
| LogP | 4.2026 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 334.99796 |
| Heavy Atoms | 19 |
| Complexity | 630.3403 |
Chemical Identifiers
| CAS Number | 247206-87-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Br |
Product Overview
3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 247206-87-7), with molecular formula C15H14BrNOS and molecular weight 335.00 g/mol. IUPAC: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-bromophenyl)methanone.
Chemical Property Profile of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 4.2026 indicates that 3-(4-Bromobenzoyl)-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)-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)-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)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 247206-87-7.
What is the molecular formula of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C15H14BrNOS.
What is the molecular weight of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 335.00 g/mol.
Where can I buy 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-(4-Bromobenzoyl)-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)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Bromobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.