辛可菲拉明
TL;DR: 辛可菲拉明 (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.
辛可菲拉明
(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
辛可菲拉明 (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 辛可菲拉明
Property Insights of 辛可菲拉明
The XLogP value of 4.9 indicates that 辛可菲拉明 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 辛可菲拉明. Following Lipinski's Rule of Five, 辛可菲拉明 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 辛可菲拉明?
The CAS number of 辛可菲拉明 is 113846-07-4.
What is the molecular formula of 辛可菲拉明?
The molecular formula of 辛可菲拉明 is C31H36N4O2.
What is the molecular weight of 辛可菲拉明?
The molecular weight of 辛可菲拉明 is 496.28 g/mol.
Where can I buy 辛可菲拉明?
You can request a quote for 辛可菲拉明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 辛可菲拉明?
Yes, KEHONG BIO provides custom synthesis services for 辛可菲拉明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.