Speciophylline
TL;DR: Speciophylline (CAS 5437-99-0) 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,5aR,6S,10aS)-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: Speciophylline, Uncarine D, Speciophyllin, Pteropodine, UNCARINED
| 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 | 5437-99-0 |
|---|---|
| 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-ZUNJVLJPSA-N |
Product Overview
Speciophylline (CAS 5437-99-0), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: methyl (1S,4aS,5aR,6S,10aS)-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 Speciophylline
Property Insights of Speciophylline
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Speciophylline. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Speciophylline. Following Lipinski's Rule of Five, Speciophylline 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 Speciophylline?
The CAS number of Speciophylline is 5437-99-0.
What is the molecular formula of Speciophylline?
The molecular formula of Speciophylline is C21H24N2O4.
What is the molecular weight of Speciophylline?
The molecular weight of Speciophylline is 368.17 g/mol.
Where can I buy Speciophylline?
You can request a quote for Speciophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Speciophylline?
Yes, KEHONG BIO provides custom synthesis services for Speciophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.