CTK2F4749
TL;DR: CTK2F4749 (CAS 64584-57-2) is a chemical compound with molecular formula C26H34N2O2 and molecular weight 406.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxybenzonitrile
Also Known As: Benzonitrile, 4-[[[(5a,17b)-17-hydroxyandrostan-3-ylidene]amino]oxy]- (9CI)
| Molecular Formula | C26H34N2O2 |
|---|---|
| Molecular Weight | 406.26 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.26202 |
| Heavy Atoms | 30 |
| Complexity | 733.0 |
Chemical Identifiers
| CAS Number | 64584-57-2 |
|---|---|
| SMILES | C[C@]12CCC(=NOC3=CC=C(C=C3)C#N)C[C@@H]1CC[C@@H]4[C@@H]2CC[C@]5([C@H]4CC[C@@H]5O)C |
| InChIKey | VCOVXRSXBZKBGF-NWIIOLSNSA-N |
Product Overview
CTK2F4749 (CAS 64584-57-2), with molecular formula C26H34N2O2 and molecular weight 406.26 g/mol. IUPAC: 4-[[(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxybenzonitrile.
Chemical Property Profile of CTK2F4749
Property Insights of CTK2F4749
The XLogP value of 5.5 indicates that CTK2F4749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK2F4749. Following Lipinski's Rule of Five, CTK2F4749 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK2F4749?
The CAS number of CTK2F4749 is 64584-57-2.
What is the molecular formula of CTK2F4749?
The molecular formula of CTK2F4749 is C26H34N2O2.
What is the molecular weight of CTK2F4749?
The molecular weight of CTK2F4749 is 406.26 g/mol.
Where can I buy CTK2F4749?
You can request a quote for CTK2F4749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK2F4749?
Yes, KEHONG BIO provides custom synthesis services for CTK2F4749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.