3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 4651-72-3) is a chemical compound with molecular formula C15H15NOS and molecular weight 257.09 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)-phenylmethanone
Also Known As: (2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophen-3-yl)-phenyl-methanone, -PHENYL-METHANONE, 3-Bromo-3'-methylbiphenyl, 3-benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)(phenyl)methanone
| Molecular Formula | C15H15NOS |
|---|---|
| Molecular Weight | 257.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.08743 |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 4651-72-3 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=CC=C3 |
| InChIKey | QJCQJXOEXKINTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 4651-72-3), with molecular formula C15H15NOS and molecular weight 257.09 g/mol. IUPAC: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 4.4 indicates that 3-Benzoyl-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 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine. Following Lipinski's Rule of Five, 3-Benzoyl-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-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 4651-72-3.
What is the molecular formula of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C15H15NOS.
What is the molecular weight of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 257.09 g/mol.
Where can I buy 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-Benzoyl-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-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.