Oraconal
TL;DR: Oraconal (CAS 8064-66-2) is a chemical compound with molecular formula C44H56O6 and molecular weight 680.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol
Also Known As: Neodelpregnin, Oraconal, Kombiquens, Megethinyl, Menoquens
| Molecular Formula | C44H56O6 |
|---|---|
| Molecular Weight | 680.41 g/mol |
| LogP | 8.19 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 680.4077 |
| Heavy Atoms | 50 |
| Complexity | 1330.0 |
Chemical Identifiers
| CAS Number | 8064-66-2 |
|---|---|
| SMILES | CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@]3(C(=O)C)OC(=O)C)C)[C@@]4(C1=CC(=O)CC4)C.C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C3C=CC(=C4)O |
| InChIKey | NIXVMBBZNVOBHS-ASRKUVFVSA-N |
Product Overview
Oraconal (CAS 8064-66-2), with molecular formula C44H56O6 and molecular weight 680.41 g/mol. IUPAC: [(8R,9S,10R,13S,14S,17R)-17-acetyl-6,10,13-trimethyl-3-oxo-2,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-yl] acetate;(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol.
Chemical Property Profile of Oraconal
Property Insights of Oraconal
The XLogP value of 8.19 indicates that Oraconal 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 Oraconal. Following Lipinski's Rule of Five, Oraconal has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Oraconal?
The CAS number of Oraconal is 8064-66-2.
What is the molecular formula of Oraconal?
The molecular formula of Oraconal is C44H56O6.
What is the molecular weight of Oraconal?
The molecular weight of Oraconal is 680.41 g/mol.
Where can I buy Oraconal?
You can request a quote for Oraconal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oraconal?
Yes, KEHONG BIO provides custom synthesis services for Oraconal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.