1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride
TL;DR: 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride (CAS 100482-49-3) is a chemical compound with molecular formula C18H23Cl2N3O and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-chloroquinolin-4-yl)-(1-oxo-1-piperidin-1-ylbutan-2-yl)azanium chloride
Also Known As: 2-(7-Chloro-4-quinolylamino)-1-piperidino-1-butanone monohydrochloride, 1-BUTANONE, 2-(7-CHLORO-4-QUINOLYLAMINO)-1-PIPERIDINO-, MONOHYDROCHLORIDE, (7-chloroquinolin-4-yl)-(1-oxo-1-piperidin-1-ylbutan-2-yl)azanium chloride, 7-chloro-n-[1-oxo-1-(piperidin-1-yl)butan-2-yl]quinolin-4-aminium chloride, RefChem:228890
| Molecular Formula | C18H23Cl2N3O |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | -0.12 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.12183 |
| Heavy Atoms | 24 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 100482-49-3 |
|---|---|
| SMILES | CCC(C(=O)N1CCCCC1)[NH2+]C2=C3C=CC(=CC3=NC=C2)Cl.[Cl-] |
| InChIKey | AGGXISLKQNKJQE-UHFFFAOYSA-N |
Product Overview
1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride (CAS 100482-49-3), with molecular formula C18H23Cl2N3O and molecular weight 367.12 g/mol. IUPAC: (7-chloroquinolin-4-yl)-(1-oxo-1-piperidin-1-ylbutan-2-yl)azanium chloride.
Chemical Property Profile of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride
Property Insights of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride
The XLogP value of -0.12 indicates that 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride 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, 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride 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 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride?
The CAS number of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride is 100482-49-3.
What is the molecular formula of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride?
The molecular formula of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride is C18H23Cl2N3O.
What is the molecular weight of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride?
The molecular weight of 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride is 367.12 g/mol.
Where can I buy 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride?
You can request a quote for 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 2-(7-chloro-4-quinolylamino)-1-piperidino-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.