Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride (CAS 97874-39-0) is a chemical compound with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-6-methoxy-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-6-methoxybenzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride, 3-(dimethylaminomethyl)-6-methoxy-3H-2-benzothiophen-1-one hydrochloride, 3-[(Dimethylamino)methyl]-6-methoxy-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326309
| Molecular Formula | C12H16ClNO2S |
|---|---|
| Molecular Weight | 273.06 g/mol |
| LogP | 2.6067 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.05902 |
| Heavy Atoms | 17 |
| Complexity | 422.9667 |
Chemical Identifiers
| CAS Number | 97874-39-0 |
|---|---|
| SMILES | CN(C)CC1C2=C(C=C(C=C2)OC)C(=O)S1.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride (CAS 97874-39-0), with molecular formula C12H16ClNO2S and molecular weight 273.06 g/mol. IUPAC: 3-[(dimethylamino)methyl]-6-methoxy-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride
The XLogP value of 2.6067 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride. With a topological polar surface area (TPSA) of 29.54 Ų, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride 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, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride is 97874-39-0.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride is C12H16ClNO2S.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride is 273.06 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride 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, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-methoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.