Netzahualcoyone
TL;DR: Netzahualcoyone (CAS 87686-36-0) is a chemical compound with molecular formula C30H36O6 and molecular weight 492.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate
Also Known As: Netzahualcoyone, methyl 3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate, 24,25,26,27-Tetranoroleana-1(10),3,5,7,14-pentaen-29-oicacid, 3,21-dihydroxy-9,13,15-trimethyl-2,22-dioxo-, methyl ester, (9b,13a,20a,21b)-, D:A-Friedo-24,26-dinoroleana-1(10),3,5,7,14-pentaen-29-oic acid, 3,21-dihydroxy-15-methyl-2,22-dioxo-, methyl ester, (20alpha,21beta)-, METHYL 3,10-DIHYDROXY-2,4A,6,9,12B,14A-HEXAMETHYL-4,11-DIOXO-1,2,3,4,4A,5,11,12B,13,14,14A,14B-DODECAHYDROPICENE-2-CARBOXYLATE
| Molecular Formula | C30H36O6 |
|---|---|
| Molecular Weight | 492.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 492.2512 |
| Heavy Atoms | 36 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 87686-36-0 |
|---|---|
| SMILES | CC1=C2C3=CC=C4C(=C(C(=O)C=C4C3(CCC2(C5CC(C(C(=O)C5(C1)C)O)(C)C(=O)OC)C)C)O)C |
| InChIKey | JBKXDADFFNVBTG-UHFFFAOYSA-N |
Product Overview
Netzahualcoyone (CAS 87686-36-0), with molecular formula C30H36O6 and molecular weight 492.25 g/mol. IUPAC: methyl 3,10-dihydroxy-2,4a,6,6a,9,14a-hexamethyl-4,11-dioxo-1,3,5,13,14,14b-hexahydropicene-2-carboxylate.
Chemical Property Profile of Netzahualcoyone
Property Insights of Netzahualcoyone
The XLogP value of 3.6 indicates that Netzahualcoyone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Netzahualcoyone. Following Lipinski's Rule of Five, Netzahualcoyone has 2 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 Netzahualcoyone?
The CAS number of Netzahualcoyone is 87686-36-0.
What is the molecular formula of Netzahualcoyone?
The molecular formula of Netzahualcoyone is C30H36O6.
What is the molecular weight of Netzahualcoyone?
The molecular weight of Netzahualcoyone is 492.25 g/mol.
Where can I buy Netzahualcoyone?
You can request a quote for Netzahualcoyone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Netzahualcoyone?
Yes, KEHONG BIO provides custom synthesis services for Netzahualcoyone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.