Mitraphylline
TL;DR: Mitraphylline (CAS 509-80-8) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
Also Known As: Mitraphylline, Mitraphilline, Mitraphyllin, Rubradinine, Pteropodine
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 509-80-8 |
|---|---|
| SMILES | C[C@H]1[C@H]2CN3CC[C@]4([C@@H]3C[C@@H]2C(=CO1)C(=O)OC)C5=CC=CC=C5NC4=O |
| InChIKey | JMIAZDVHNCCPDM-DAFCLMLCSA-N |
Product Overview
Mitraphylline (CAS 509-80-8), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl (1S,4aS,5aS,6R,10aR)-1-methyl-2'-oxospiro[1,4a,5,5a,7,8,10,10a-octahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.
Chemical Property Profile of Mitraphylline
Property Insights of Mitraphylline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mitraphylline. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Mitraphylline. Following Lipinski's Rule of Five, Mitraphylline has 1 hydrogen bond donor(s) and 5 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 Mitraphylline?
The CAS number of Mitraphylline is 509-80-8.
What is the molecular formula of Mitraphylline?
The molecular formula of Mitraphylline is C21H24N2O4.
What is the molecular weight of Mitraphylline?
The molecular weight of Mitraphylline is 368.17 g/mol.
Where can I buy Mitraphylline?
You can request a quote for Mitraphylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mitraphylline?
Yes, KEHONG BIO provides custom synthesis services for Mitraphylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.