Apodine
TL;DR: Apodine (CAS 57932-86-2) is a chemical compound with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate
Also Known As: Apodine, methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate, 8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one, (5alpha,12R,19alpha)-2,3-Didehydro-6alpha-hydroxy-3-(methoxycarbonyl)aspidospermidin-21-oic acid gamma-lactone, Acetic acid (4aS,9R,10aS)-6-acetoxy-7-isopropyl-1,1,4a-trimethyl-5,8-dioxo-1,2,3,4,4a,5,8,9,10,10a-decahydro-phenanthren-9-yl ester
| Molecular Formula | C21H22N2O4 |
|---|---|
| Molecular Weight | 366.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.15796 |
| Heavy Atoms | 27 |
| Complexity | 763.0 |
Chemical Identifiers
| CAS Number | 57932-86-2 |
|---|---|
| SMILES | COC(=O)C1=C2[C@]3(CCN4[C@H]3[C@@]5(C1)CC(=O)O[C@H]5CC4)C6=CC=CC=C6N2 |
| InChIKey | SXLKMYFJLWDXFU-ZEWNOJEFSA-N |
Product Overview
Apodine (CAS 57932-86-2), with molecular formula C21H22N2O4 and molecular weight 366.16 g/mol. IUPAC: methyl (1R,12R,16S,22R)-14-oxo-15-oxa-8,19-diazahexacyclo[10.9.1.01,9.02,7.012,16.019,22]docosa-2,4,6,9-tetraene-10-carboxylate.
Chemical Property Profile of Apodine
Property Insights of Apodine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apodine. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Apodine. Following Lipinski's Rule of Five, Apodine has 1 hydrogen bond donor(s) and 6 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 Apodine?
The CAS number of Apodine is 57932-86-2.
What is the molecular formula of Apodine?
The molecular formula of Apodine is C21H22N2O4.
What is the molecular weight of Apodine?
The molecular weight of Apodine is 366.16 g/mol.
Where can I buy Apodine?
You can request a quote for Apodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apodine?
Yes, KEHONG BIO provides custom synthesis services for Apodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.