AQ 1989
TL;DR: AQ 1989 (CAS 61-40-5) is a chemical compound with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride
Also Known As: Benzothienyl-2-beta-(N,N-dimethylamino)ethyl ketone, 1-Propanone, 1-benzo(b)thien-3-yl-3-(dimethylamino)-, hydrochloride, 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride, 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one,hydro, 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one hydrochloride
| Molecular Formula | C13H16ClNOS |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 3.46 |
| Topological Polar Surface Area | 48.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06412 |
| Heavy Atoms | 17 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 61-40-5 |
|---|---|
| SMILES | CN(C)CCC(=O)C1=CSC2=CC=CC=C21.Cl |
| InChIKey | VLWUPJUWLHHZIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AQ 1989 (CAS 61-40-5), with molecular formula C13H16ClNOS and molecular weight 269.06 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)-3-(dimethylamino)propan-1-one;hydrochloride.
Chemical Property Profile of AQ 1989
Property Insights of AQ 1989
The XLogP value of 3.46 indicates that AQ 1989 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.6 Ų, AQ 1989 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ 1989 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 AQ 1989?
The CAS number of AQ 1989 is 61-40-5.
What is the molecular formula of AQ 1989?
The molecular formula of AQ 1989 is C13H16ClNOS.
What is the molecular weight of AQ 1989?
The molecular weight of AQ 1989 is 269.06 g/mol.
Where can I buy AQ 1989?
You can request a quote for AQ 1989 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ 1989?
Yes, KEHONG BIO provides custom synthesis services for AQ 1989 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.