Netzahualcoyene
TL;DR: Netzahualcoyene (CAS 13015-71-9) is a chemical compound with molecular formula C30H38O4 and molecular weight 462.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate
Also Known As: Netzahualcoyene, Vitideasin, methyl 10-hydroxy-2,4a,6,9,12b,14a-hexamethyl-11-oxo-1,2,3,4,4a,5,11,12b,13,14,14a,14b-dodecahydropicene-2-carboxylate, 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3-hydroxy-9,13,15-trimethyl-2-oxo-, methyl ester, (9b,13a,20a)- (9CI), methyl 10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate
| Molecular Formula | C30H38O4 |
|---|---|
| Molecular Weight | 462.28 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 462.277 |
| Heavy Atoms | 34 |
| Complexity | 1180.0 |
Chemical Identifiers
| CAS Number | 13015-71-9 |
|---|---|
| SMILES | CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(CCC5(C1)C)(C)C(=O)OC)C)C)O)C |
| InChIKey | CMKHWUBEVSIFHL-UHFFFAOYSA-N |
Product Overview
Netzahualcoyene (CAS 13015-71-9), with molecular formula C30H38O4 and molecular weight 462.28 g/mol. IUPAC: methyl 10-hydroxy-2,4a,6,6a,9,14a-hexamethyl-11-oxo-3,4,5,13,14,14b-hexahydro-1H-picene-2-carboxylate.
Chemical Property Profile of Netzahualcoyene
Property Insights of Netzahualcoyene
The XLogP value of 5.0 indicates that Netzahualcoyene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Netzahualcoyene. Following Lipinski's Rule of Five, Netzahualcoyene has 1 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 Netzahualcoyene?
The CAS number of Netzahualcoyene is 13015-71-9.
What is the molecular formula of Netzahualcoyene?
The molecular formula of Netzahualcoyene is C30H38O4.
What is the molecular weight of Netzahualcoyene?
The molecular weight of Netzahualcoyene is 462.28 g/mol.
Where can I buy Netzahualcoyene?
You can request a quote for Netzahualcoyene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Netzahualcoyene?
Yes, KEHONG BIO provides custom synthesis services for Netzahualcoyene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.