Neumolisina
TL;DR: Neumolisina (CAS 3413-58-9) is a chemical compound with molecular formula C23H33ClN2O2 and molecular weight 404.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride
Also Known As: Neumolisina, Rhombic, Optoquinhydrochloride, Numoquin hydrochloride, Optochin hydrochloride
| Molecular Formula | C23H33ClN2O2 |
|---|---|
| Molecular Weight | 404.22 g/mol |
| LogP | 4.99 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.22305 |
| Heavy Atoms | 28 |
| Complexity | 529.0 |
Chemical Identifiers
| CAS Number | 3413-58-9 |
|---|---|
| SMILES | CC[C@]1(CN2CCC1C[C@@]2(C)[C@@H](C3=C4C=C(C=CC4=NC=C3)OCC)O)C.Cl |
| InChIKey | UBGKQKTVBOWPKR-BVMFEKKJSA-N |
Product Overview
Neumolisina (CAS 3413-58-9), with molecular formula C23H33ClN2O2 and molecular weight 404.22 g/mol. IUPAC: (R)-(6-ethoxyquinolin-4-yl)-[(2S,5R)-5-ethyl-2,5-dimethyl-1-azabicyclo[2.2.2]octan-2-yl]methanol;hydrochloride.
Chemical Property Profile of Neumolisina
Property Insights of Neumolisina
The XLogP value of 4.99 indicates that Neumolisina is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, Neumolisina exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Neumolisina has 2 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 Neumolisina?
The CAS number of Neumolisina is 3413-58-9.
What is the molecular formula of Neumolisina?
The molecular formula of Neumolisina is C23H33ClN2O2.
What is the molecular weight of Neumolisina?
The molecular weight of Neumolisina is 404.22 g/mol.
Where can I buy Neumolisina?
You can request a quote for Neumolisina directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neumolisina?
Yes, KEHONG BIO provides custom synthesis services for Neumolisina and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.