Cinchophylline
TL;DR: Cinchophylline (CAS 1355-62-0) is a chemical compound with molecular formula C31H36N4O2 and molecular weight 496.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethenyl-9-methoxy-2-[(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Also Known As: Cinchophylline, Cinchophyllamine, 1-Glyceryloctyl ether, 3alpha,17beta-Cinchophylline, 3-alpha,17-beta-Cinchophylline
| Molecular Formula | C31H36N4O2 |
|---|---|
| Molecular Weight | 496.28 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.2838 |
| Heavy Atoms | 37 |
| Complexity | 825.0 |
Chemical Identifiers
| CAS Number | 1355-62-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCNC3CC4CC5C6=C(CCN5CC4C=C)C7=C(N6)C=CC(=C7)OC |
| InChIKey | MKRBLBZRPCFROB-UHFFFAOYSA-N |
Product Overview
Cinchophylline (CAS 1355-62-0), with molecular formula C31H36N4O2 and molecular weight 496.28 g/mol. IUPAC: 3-ethenyl-9-methoxy-2-[(6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine.
Chemical Property Profile of Cinchophylline
Property Insights of Cinchophylline
The XLogP value of 4.9 indicates that Cinchophylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Cinchophylline. Following Lipinski's Rule of Five, Cinchophylline 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 Cinchophylline?
The CAS number of Cinchophylline is 1355-62-0.
What is the molecular formula of Cinchophylline?
The molecular formula of Cinchophylline is C31H36N4O2.
What is the molecular weight of Cinchophylline?
The molecular weight of Cinchophylline is 496.28 g/mol.
Where can I buy Cinchophylline?
You can request a quote for Cinchophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchophylline?
Yes, KEHONG BIO provides custom synthesis services for Cinchophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.