6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)
TL;DR: 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) (CAS 85135-88-2) is a chemical compound with molecular formula C20H26Cl2N2O2 and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride
Also Known As: Quinine bimuriate, Quinidine dihydrochloride, (9S)-6'-Methoxycinchonan-9-ol dihydrochloride, 6'-Methoxycinchonan-9-ol--hydrogen chloride (1/2), (1xi,9S)-6'-Methoxycinchonan-9-ol--hydrogen chloride (1/2)
| Molecular Formula | C20H26Cl2N2O2 |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 4.02 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.13715 |
| Heavy Atoms | 26 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 85135-88-2 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H]([C@H]3CC4CCN3C[C@@H]4C=C)O.Cl.Cl |
| InChIKey | NNKXWRRDHYTHFP-HFUYCMBESA-N |
Product Overview
6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) (CAS 85135-88-2), with molecular formula C20H26Cl2N2O2 and molecular weight 396.14 g/mol. IUPAC: (S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;dihydrochloride.
Chemical Property Profile of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)
Property Insights of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)
The XLogP value of 4.02 indicates that 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) has 3 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 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)?
The CAS number of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) is 85135-88-2.
What is the molecular formula of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)?
The molecular formula of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) is C20H26Cl2N2O2.
What is the molecular weight of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)?
The molecular weight of 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) is 396.14 g/mol.
Where can I buy 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)?
You can request a quote for 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2)?
Yes, KEHONG BIO provides custom synthesis services for 6'-甲氧基金鸡纳烷-9-醇盐酸盐(1:2) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.