3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 399043-35-7) is a chemical compound with molecular formula C15H14FNOS and molecular weight 275.08 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)-(3-fluorophenyl)methanone
Also Known As: 3-(3-fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3-fluorophenyl)methanone, Methanone,(2-amino-4,5,6,7-tetrahydrobenzo[b]thien-3-yl)(3-fluorophenyl)-, (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone, (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3-fluorophenyl)methanone
| Molecular Formula | C15H14FNOS |
|---|---|
| Molecular Weight | 275.08 g/mol |
| LogP | 3.5792 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.078 |
| Heavy Atoms | 19 |
| Complexity | 647.5903 |
Chemical Identifiers
| CAS Number | 399043-35-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC(=CC=C3)F |
Product Overview
3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 399043-35-7), with molecular formula C15H14FNOS and molecular weight 275.08 g/mol. IUPAC: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3-fluorophenyl)methanone.
Chemical Property Profile of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 3.5792 indicates that 3-(3-Fluorobenzoyl)-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-(3-Fluorobenzoyl)-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-(3-Fluorobenzoyl)-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-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 399043-35-7.
What is the molecular formula of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C15H14FNOS.
What is the molecular weight of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 275.08 g/mol.
Where can I buy 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-(3-Fluorobenzoyl)-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-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Fluorobenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.