Alstonine
TL;DR: Alstonine (CAS 47485-83-6) is a chemical compound with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate
Also Known As: ALSTONINE, Indole alkaloid, alstonin, Alstonine HCl, Alstonine hydrochloride
| Molecular Formula | C21H20N2O3 |
|---|---|
| Molecular Weight | 348.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 53.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.1474 |
| Heavy Atoms | 26 |
| Complexity | 606.0 |
Chemical Identifiers
| CAS Number | 47485-83-6 |
|---|---|
| SMILES | C[C@H]1[C@@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@@H]2C(=CO1)C(=O)OC |
| InChIKey | WYTGDNHDOZPMIW-RCBQFDQVSA-N |
Product Overview
Alstonine (CAS 47485-83-6), with molecular formula C21H20N2O3 and molecular weight 348.15 g/mol. IUPAC: methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate.
Chemical Property Profile of Alstonine
Property Insights of Alstonine
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Alstonine. With a topological polar surface area (TPSA) of 53.4 Ų, Alstonine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alstonine has 0 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 Alstonine?
The CAS number of Alstonine is 47485-83-6.
What is the molecular formula of Alstonine?
The molecular formula of Alstonine is C21H20N2O3.
What is the molecular weight of Alstonine?
The molecular weight of Alstonine is 348.15 g/mol.
Where can I buy Alstonine?
You can request a quote for Alstonine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alstonine?
Yes, KEHONG BIO provides custom synthesis services for Alstonine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.