N-Benzylquininium chloride
TL;DR: N-Benzylquininium chloride (CAS 67174-25-8) is a chemical compound with molecular formula C27H31ClN2O2 and molecular weight 450.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride
Also Known As: N-Benzylquininium chloride, QUIBEC, N-Benzylquinine chloride, N-Benzylquininium chloride =95%, N-BENZLQUININIUM CLRIDE 95 25G.
| Molecular Formula | C27H31ClN2O2 |
|---|---|
| Molecular Weight | 450.21 g/mol |
| LogP | 1.8922 |
| Topological Polar Surface Area | 42.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.2074 |
| Heavy Atoms | 32 |
| Complexity | 1089.4663 |
Chemical Identifiers
| CAS Number | 67174-25-8 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CC[N+]3(C[C@@H]4C=C)CC5=CC=CC=C5)O.[Cl-] |
Product Overview
N-Benzylquininium chloride (CAS 67174-25-8), with molecular formula C27H31ClN2O2 and molecular weight 450.21 g/mol. IUPAC: (R)-[(2S,4S,5R)-1-benzyl-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol chloride.
Chemical Property Profile of N-Benzylquininium chloride
Property Insights of N-Benzylquininium chloride
The XLogP value of 1.8922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Benzylquininium chloride. With a topological polar surface area (TPSA) of 42.35 Ų, N-Benzylquininium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Benzylquininium chloride 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 N-Benzylquininium chloride?
The CAS number of N-Benzylquininium chloride is 67174-25-8.
What is the molecular formula of N-Benzylquininium chloride?
The molecular formula of N-Benzylquininium chloride is C27H31ClN2O2.
What is the molecular weight of N-Benzylquininium chloride?
The molecular weight of N-Benzylquininium chloride is 450.21 g/mol.
Where can I buy N-Benzylquininium chloride?
You can request a quote for N-Benzylquininium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Benzylquininium chloride?
Yes, KEHONG BIO provides custom synthesis services for N-Benzylquininium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.