endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate
TL;DR: endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate (CAS 147017-64-9) is a chemical compound with molecular formula C18H22Cl2N2O3 and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate;dihydrochloride
Also Known As: endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate, 3-Quinolinecarboxylic acid, 4-hydroxy-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, dihydrochloride, hydrate, endo-, (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate dihydrochloride, 8-Methyl-8-azabicyclo[3.2.1]octan-3-yl 4-oxo-1,4-dihydroquinoline-3-carboxylate--hydrogen chloride (1/2), RefChem:282557
| Molecular Formula | C18H22Cl2N2O3 |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 3.1537 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.10074 |
| Heavy Atoms | 25 |
| Complexity | 809.3185 |
Chemical Identifiers
| CAS Number | 147017-64-9 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C4C3=O.Cl.Cl |
Product Overview
endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate (CAS 147017-64-9), with molecular formula C18H22Cl2N2O3 and molecular weight 384.10 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 4-oxo-1H-quinoline-3-carboxylate;dihydrochloride.
Chemical Property Profile of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate
Property Insights of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate
The XLogP value of 3.1537 indicates that endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate. Following Lipinski's Rule of Five, endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate 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 endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate?
The CAS number of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate is 147017-64-9.
What is the molecular formula of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate?
The molecular formula of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate is C18H22Cl2N2O3.
What is the molecular weight of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate?
The molecular weight of endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate is 384.10 g/mol.
Where can I buy endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate?
You can request a quote for endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate?
Yes, KEHONG BIO provides custom synthesis services for endo-(8-Methyl-8-azabicyclo(3.2.1)oct-3-yl)4-hydroxy-3-quinolinecarboxylate 2HCl hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.