Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride (CAS 97874-45-8) is a chemical compound with molecular formula C11H14ClNO2S and molecular weight 259.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-6-hydroxy-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-6-hydroxybenzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride, 3-(dimethylaminomethyl)-6-hydroxy-3H-2-benzothiophen-1-one hydrochloride, 3-[(Dimethylamino)methyl]-6-hydroxy-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326308
| Molecular Formula | C11H14ClNO2S |
|---|---|
| Molecular Weight | 259.04 g/mol |
| LogP | 2.3037 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.04337 |
| Heavy Atoms | 16 |
| Complexity | 408.97107 |
Chemical Identifiers
| CAS Number | 97874-45-8 |
|---|---|
| SMILES | CN(C)CC1C2=C(C=C(C=C2)O)C(=O)S1.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride (CAS 97874-45-8), with molecular formula C11H14ClNO2S and molecular weight 259.04 g/mol. IUPAC: 3-[(dimethylamino)methyl]-6-hydroxy-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride
The XLogP value of 2.3037 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride. With a topological polar surface area (TPSA) of 40.54 Ų, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, 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-hydroxy-, hydrochloride has 1 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-hydroxy-, hydrochloride?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride is 97874-45-8.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride is C11H14ClNO2S.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride is 259.04 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, 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-hydroxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-hydroxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.