3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 50508-69-5) is a chemical compound with molecular formula C16H17NOS and molecular weight 271.10 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)-phenylmethanone
Also Known As: 3-benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)(phenyl)methanone, (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone, 2-Amino-3-benzoyl-6-methyl-4,5,6,7-tetrahydrobenzo[b]thiophene, (2-Amino-4,5,6,7-tetrahydro-6-methylbenzo[b]thien-3-yl)phenylmethanone
| Molecular Formula | C16H17NOS |
|---|---|
| Molecular Weight | 271.10 g/mol |
| LogP | 3.6861 |
| Topological Polar Surface Area | 43.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.1031 |
| Heavy Atoms | 19 |
| Complexity | 615.1792 |
Chemical Identifiers
| CAS Number | 50508-69-5 |
|---|---|
| SMILES | CC1CCC2=C(C1)SC(=C2C(=O)C3=CC=CC=C3)N |
Product Overview
3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 50508-69-5), with molecular formula C16H17NOS and molecular weight 271.10 g/mol. IUPAC: (2-amino-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 3.6861 indicates that 3-Benzoyl-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-Benzoyl-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-Benzoyl-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-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 50508-69-5.
What is the molecular formula of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C16H17NOS.
What is the molecular weight of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 271.10 g/mol.
Where can I buy 3-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-Benzoyl-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-Benzoyl-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-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.