AQ 1994
TL;DR: AQ 1994 (CAS 61-44-9) is a chemical compound with molecular formula C15H18ClNO2S and molecular weight 311.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzothiophen-3-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride
Also Known As: alpha-Benzothienyl-beta-N-morpholinoethyl ketone, 1-Propanone, 1-benzo(b)thien-3-yl-3-(4-morpholinyl)-, hydrochloride, 3-(3-morpholinopropionyl)benzo(b)thiophene hydrochloride, 1-(1-benzothiophen-3-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride, 1-(1-benzothien-3-yl)-3-(4-morpholinyl)-1-propanone hydrochloride
| Molecular Formula | C15H18ClNO2S |
|---|---|
| Molecular Weight | 311.07 g/mol |
| LogP | 3.23 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.07468 |
| Heavy Atoms | 20 |
| Complexity | 317.0 |
Chemical Identifiers
| CAS Number | 61-44-9 |
|---|---|
| SMILES | C1COCCN1CCC(=O)C2=CSC3=CC=CC=C32.Cl |
| InChIKey | MHFIDACTVZJUFJ-UHFFFAOYSA-N |
Product Overview
AQ 1994 (CAS 61-44-9), with molecular formula C15H18ClNO2S and molecular weight 311.07 g/mol. IUPAC: 1-(1-benzothiophen-3-yl)-3-morpholin-4-ylpropan-1-one;hydrochloride.
Chemical Property Profile of AQ 1994
Property Insights of AQ 1994
The XLogP value of 3.23 indicates that AQ 1994 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, AQ 1994 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AQ 1994 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 AQ 1994?
The CAS number of AQ 1994 is 61-44-9.
What is the molecular formula of AQ 1994?
The molecular formula of AQ 1994 is C15H18ClNO2S.
What is the molecular weight of AQ 1994?
The molecular weight of AQ 1994 is 311.07 g/mol.
Where can I buy AQ 1994?
You can request a quote for AQ 1994 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ 1994?
Yes, KEHONG BIO provides custom synthesis services for AQ 1994 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.