Cinchophyllamine
TL;DR: Cinchophyllamine (CAS 113846-07-4) 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.
(2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-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: Cinchophyllamine, Isocinchophyllamin, 1-Glyceryloctyl ether, 3-beta,17-beta-Cinchophylline, KST-1A0653
| 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 | 113846-07-4 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC3=C2CCN[C@@H]3C[C@@H]4C[C@@H]5C6=C(CCN5C[C@@H]4C=C)C7=C(N6)C=CC(=C7)OC |
| InChIKey | MKRBLBZRPCFROB-IUSJDPGBSA-N |
Product Overview
Cinchophyllamine (CAS 113846-07-4), with molecular formula C31H36N4O2 and molecular weight 496.28 g/mol. IUPAC: (2R,3R,12bR)-3-ethenyl-9-methoxy-2-[[(1R)-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 Cinchophyllamine
Property Insights of Cinchophyllamine
The XLogP value of 4.9 indicates that Cinchophyllamine 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 Cinchophyllamine. Following Lipinski's Rule of Five, Cinchophyllamine 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 Cinchophyllamine?
The CAS number of Cinchophyllamine is 113846-07-4.
What is the molecular formula of Cinchophyllamine?
The molecular formula of Cinchophyllamine is C31H36N4O2.
What is the molecular weight of Cinchophyllamine?
The molecular weight of Cinchophyllamine is 496.28 g/mol.
Where can I buy Cinchophyllamine?
You can request a quote for Cinchophyllamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinchophyllamine?
Yes, KEHONG BIO provides custom synthesis services for Cinchophyllamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.