碳酸二奎宁
TL;DR: 碳酸二奎宁 (CAS 146-06-5) is a chemical compound with molecular formula C41H46N4O5 and molecular weight 674.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碳酸二奎宁
bis[(S)-[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] carbonate
Also Known As: Diquinine carbonate, EINECS 205-662-6, Bis(6'-methoxycinchonan-9-yl) carbonate, bis[(S)-[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] carbonate, Bis[(1xi,8xi,9S)-6'-methoxy-3alpha-cinchonan-9-yl] carbonate
| Molecular Formula | C41H46N4O5 |
|---|---|
| Molecular Weight | 674.35 g/mol |
| LogP | 7.5286 |
| Topological Polar Surface Area | 86.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 674.3468 |
| Heavy Atoms | 50 |
| Complexity | 1779.7546 |
Chemical Identifiers
| CAS Number | 146-06-5 |
|---|---|
| SMILES | COC1=CC2=C(C=CN=C2C=C1)[C@@H](C3CC4CCN3C[C@H]4C=C)OC(=O)O[C@H](C5CC6CCN5C[C@H]6C=C)C7=C8C=C(C=CC8=NC=C7)OC |
Product Overview
碳酸二奎宁 (CAS 146-06-5), with molecular formula C41H46N4O5 and molecular weight 674.35 g/mol. IUPAC: bis[(S)-[(5S)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] carbonate.
Chemical Property Profile of 碳酸二奎宁
Property Insights of 碳酸二奎宁
The XLogP value of 7.5286 indicates that 碳酸二奎宁 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 碳酸二奎宁. Following Lipinski's Rule of Five, 碳酸二奎宁 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 碳酸二奎宁?
The CAS number of 碳酸二奎宁 is 146-06-5.
What is the molecular formula of 碳酸二奎宁?
The molecular formula of 碳酸二奎宁 is C41H46N4O5.
What is the molecular weight of 碳酸二奎宁?
The molecular weight of 碳酸二奎宁 is 674.35 g/mol.
Where can I buy 碳酸二奎宁?
You can request a quote for 碳酸二奎宁 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碳酸二奎宁?
Yes, KEHONG BIO provides custom synthesis services for 碳酸二奎宁 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.