Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride
TL;DR: Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride (CAS 7388-08-1) is a chemical compound with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1-benzothiophen-3-yl)-2-oxoethyl]-dimethylazanium chloride
Also Known As: Benzo(b)thien-3-yl dimethylaminomethyl ketone hydrochloride, [2-(1-benzothiophen-3-yl)-2-oxoethyl]-dimethylazanium chloride, 3-((Dimethylamino)acetyl)benzo(b)thiophene hydrochloride, Benzo(b)thiophene, 3-((dimethylamino)acetyl)-, hydrochloride, KETONE, BENZO(b)THIEN-3-YL DIMETHYLAMINOMETHYL, HYDROCHLORIDE
| Molecular Formula | C12H14ClNOS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | -1.77 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.04846 |
| Heavy Atoms | 16 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 7388-08-1 |
|---|---|
| SMILES | C[NH+](C)CC(=O)C1=CSC2=CC=CC=C21.[Cl-] |
| InChIKey | DIKGAMKVBQRSQP-UHFFFAOYSA-N |
Product Overview
Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride (CAS 7388-08-1), with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol. IUPAC: [2-(1-benzothiophen-3-yl)-2-oxoethyl]-dimethylazanium chloride.
Chemical Property Profile of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride
Property Insights of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride
The XLogP value of -1.77 indicates that Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.8 Ų, Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride has 1 hydrogen bond donor(s) and 3 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 Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride?
The CAS number of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride is 7388-08-1.
What is the molecular formula of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride?
The molecular formula of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride is C12H14ClNOS.
What is the molecular weight of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride?
The molecular weight of Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride is 255.05 g/mol.
Where can I buy Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride?
You can request a quote for Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Ketone, benzo(b)thien-3-yl dimethylaminomethyl, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.