Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride (CAS 97874-46-9) is a chemical compound with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(dimethylamino)methyl]-6-propoxy-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 3-((Dimethylamino)methyl)-6-propoxybenzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride, 3-(dimethylaminomethyl)-6-propoxy-3H-2-benzothiophen-1-one hydrochloride, 3-[(Dimethylamino)methyl]-6-propoxy-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326310
| Molecular Formula | C14H20ClNO2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 3.3869 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.09033 |
| Heavy Atoms | 19 |
| Complexity | 451.07214 |
Chemical Identifiers
| CAS Number | 97874-46-9 |
|---|---|
| SMILES | CCCOC1=CC2=C(C=C1)C(SC2=O)CN(C)C.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride (CAS 97874-46-9), with molecular formula C14H20ClNO2S and molecular weight 301.09 g/mol. IUPAC: 3-[(dimethylamino)methyl]-6-propoxy-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride
The XLogP value of 3.3869 indicates that Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, 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-propoxy-, 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-propoxy-, hydrochloride?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride is 97874-46-9.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride is C14H20ClNO2S.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride is 301.09 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, 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-propoxy-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((dimethylamino)methyl)-6-propoxy-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.