Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-
TL;DR: Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- (CAS 97874-40-3) is a chemical compound with molecular formula C13H18N2OS and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(dimethylamino)-3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one
Also Known As: 6-(Dimethylamino)-3-((dimethylamino)methyl)benzo(c)thiophen-1(3H)-one, Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-, 6-(dimethylamino)-3-(dimethylaminomethyl)-3H-2-benzothiophen-1-one, 6-(Dimethylamino)-3-[(dimethylamino)methyl]-2-benzothiophen-1(3H)-one, RefChem:326319
| Molecular Formula | C13H18N2OS |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.2423 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.11398 |
| Heavy Atoms | 17 |
| Complexity | 443.04565 |
Chemical Identifiers
| CAS Number | 97874-40-3 |
|---|---|
| SMILES | CN(C)CC1C2=C(C=C(C=C2)N(C)C)C(=O)S1 |
Product Overview
Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- (CAS 97874-40-3), with molecular formula C13H18N2OS and molecular weight 250.11 g/mol. IUPAC: 6-(dimethylamino)-3-[(dimethylamino)methyl]-3H-2-benzothiophen-1-one.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-
Property Insights of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-
The XLogP value of 2.2423 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-. With a topological polar surface area (TPSA) of 23.55 Ų, Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- has 0 hydrogen bond donor(s) and 4 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 Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-?
The CAS number of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- is 97874-40-3.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- is C13H18N2OS.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- is 250.11 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 6-(dimethylamino)-3-((dimethylamino)methyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.