3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
TL;DR: 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-79-2) is a chemical compound with molecular formula C17H19NO3S and molecular weight 317.11 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)-(3,5-dimethoxyphenyl)methanone
Also Known As: 3-(3,5-dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine, (2-amino-4,5,6,7-tetrahydro-1-benzothien-3-yl)(3,5-dimethoxyphenyl)methanone, (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone, (2-amino-4,5,6,7-tetrahydrobenzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone, 982-842-7
| Molecular Formula | C17H19NO3S |
|---|---|
| Molecular Weight | 317.11 g/mol |
| LogP | 3.4573 |
| Topological Polar Surface Area | 61.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.10855 |
| Heavy Atoms | 22 |
| Complexity | 698.6844 |
Chemical Identifiers
| CAS Number | 793678-79-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C(=O)C2=C(SC3=C2CCCC3)N)OC |
Product Overview
3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine (CAS 793678-79-2), with molecular formula C17H19NO3S and molecular weight 317.11 g/mol. IUPAC: (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(3,5-dimethoxyphenyl)methanone.
Chemical Property Profile of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
Property Insights of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine
The XLogP value of 3.4573 indicates that 3-(3,5-Dimethoxybenzoyl)-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 61.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine. Following Lipinski's Rule of Five, 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine has 1 hydrogen bond donor(s) and 5 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-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The CAS number of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 793678-79-2.
What is the molecular formula of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular formula of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is C17H19NO3S.
What is the molecular weight of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
The molecular weight of 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine is 317.11 g/mol.
Where can I buy 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
You can request a quote for 3-(3,5-Dimethoxybenzoyl)-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-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-(3,5-Dimethoxybenzoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.