Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride
TL;DR: Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride (CAS 97874-30-1) is a chemical compound with molecular formula C15H22ClNOS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[di(propan-2-yl)amino]methyl]-3H-2-benzothiophen-1-one;hydrochloride
Also Known As: 3-((Bis(1-methylethyl)amino)methyl)benzo(c)thiophen-1(3H)-one hydrochloride, Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride, 3-[[di(propan-2-yl)amino]methyl]-3H-2-benzothiophen-1-one hydrochloride, 3-{[Di(propan-2-yl)amino]methyl}-2-benzothiophen-1(3H)-one--hydrogen chloride (1/1), RefChem:326299
| Molecular Formula | C15H22ClNOS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 4.1553 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.11105 |
| Heavy Atoms | 19 |
| Complexity | 439.52664 |
Chemical Identifiers
| CAS Number | 97874-30-1 |
|---|---|
| SMILES | CC(C)N(CC1C2=CC=CC=C2C(=O)S1)C(C)C.Cl |
Product Overview
Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride (CAS 97874-30-1), with molecular formula C15H22ClNOS and molecular weight 299.11 g/mol. IUPAC: 3-[[di(propan-2-yl)amino]methyl]-3H-2-benzothiophen-1-one;hydrochloride.
Chemical Property Profile of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride
Property Insights of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride
The XLogP value of 4.1553 indicates that Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride has 0 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 Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride?
The CAS number of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride is 97874-30-1.
What is the molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride?
The molecular formula of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride is C15H22ClNOS.
What is the molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride?
The molecular weight of Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride is 299.11 g/mol.
Where can I buy Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride?
You can request a quote for Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, 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-((bis(1-methylethyl)amino)methyl)-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Benzo(c)thiophen-1(3H)-one, 3-((bis(1-methylethyl)amino)methyl)-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.