Azatoxin
TL;DR: Azatoxin (CAS 129564-92-7) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(10R,15S)-10-(4-hydroxy-3,5-dimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one
Also Known As: Azatoxin, NSC 640737-M, (3,4-dichloro-phenyl)-acetic acid hydrazide, 33876-EP2275420A1, 33876-EP2295055A2
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 84.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 589.0 |
Chemical Identifiers
| CAS Number | 129564-92-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)[C@@H]2C3=C(C[C@@H]4N2C(=O)OC4)C5=CC=CC=C5N3 |
| InChIKey | MIXLRUYCYZPSOQ-HXPMCKFVSA-N |
Product Overview
Azatoxin (CAS 129564-92-7), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: (10R,15S)-10-(4-hydroxy-3,5-dimethoxyphenyl)-13-oxa-8,11-diazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2,4,6-tetraen-12-one.
Chemical Property Profile of Azatoxin
Property Insights of Azatoxin
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azatoxin. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Azatoxin. Following Lipinski's Rule of Five, Azatoxin has 2 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 Azatoxin?
The CAS number of Azatoxin is 129564-92-7.
What is the molecular formula of Azatoxin?
The molecular formula of Azatoxin is C21H20N2O5.
What is the molecular weight of Azatoxin?
The molecular weight of Azatoxin is 380.14 g/mol.
Where can I buy Azatoxin?
You can request a quote for Azatoxin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Azatoxin?
Yes, KEHONG BIO provides custom synthesis services for Azatoxin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.