Cyanoketone
TL;DR: Cyanoketone (CAS 4248-66-2) is a chemical compound with molecular formula C23H33NO2 and molecular weight 355.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile
Also Known As: Cyanoketone, Cyanotrimethylandrostenolone, 2alpha-Cyano-4,4,17alpha-trimethylandrost-5-en-17beta-ol-3-one, (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile, 2-alpha-Cyano-4,4,17-alpha-trimethylandrost-5-en-17-beta-ol-3-one
| Molecular Formula | C23H33NO2 |
|---|---|
| Molecular Weight | 355.25 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.25113 |
| Heavy Atoms | 26 |
| Complexity | 743.0 |
Chemical Identifiers
| CAS Number | 4248-66-2 |
|---|---|
| SMILES | C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC=C4[C@@]3(C[C@H](C(=O)C4(C)C)C#N)C |
| InChIKey | GTBRTGPZZALPNS-MXHVRSFHSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyanoketone (CAS 4248-66-2), with molecular formula C23H33NO2 and molecular weight 355.25 g/mol. IUPAC: (2S,8R,9S,10R,13S,14S,17S)-17-hydroxy-4,4,10,13,17-pentamethyl-3-oxo-1,2,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-2-carbonitrile.
Chemical Property Profile of Cyanoketone
Property Insights of Cyanoketone
The XLogP value of 4.1 indicates that Cyanoketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Cyanoketone. Following Lipinski's Rule of Five, Cyanoketone has 1 hydrogen bond donor(s) and 3 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 Cyanoketone?
The CAS number of Cyanoketone is 4248-66-2.
What is the molecular formula of Cyanoketone?
The molecular formula of Cyanoketone is C23H33NO2.
What is the molecular weight of Cyanoketone?
The molecular weight of Cyanoketone is 355.25 g/mol.
Where can I buy Cyanoketone?
You can request a quote for Cyanoketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyanoketone?
Yes, KEHONG BIO provides custom synthesis services for Cyanoketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.