CTK7C4399
TL;DR: CTK7C4399 (CAS 1013252-85-1) is a chemical compound with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(3-METHOXY-4-((4-NITROPHENYL)METHOXY)PHENYL)PROP-2-ENENITRILE, 2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2Z)-2-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-4,4-dimethyl-3-oxopentanenitrile, Pentanenitrile, 2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylene]-4,4-dimethyl-3-oxo-
| Molecular Formula | C22H22N2O5 |
|---|---|
| Molecular Weight | 394.15 g/mol |
| LogP | 4.70458 |
| Topological Polar Surface Area | 102.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.15286 |
| Heavy Atoms | 29 |
| Complexity | 979.74274 |
Chemical Identifiers
| CAS Number | 1013252-85-1 |
|---|---|
| SMILES | CC(C)(C)C(=O)C(=CC1=CC(=C(C=C1)OCC2=CC=C(C=C2)[N+](=O)[O-])OC)C#N |
Product Overview
CTK7C4399 (CAS 1013252-85-1), with molecular formula C22H22N2O5 and molecular weight 394.15 g/mol. IUPAC: 2-[[3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile.
Chemical Property Profile of CTK7C4399
Property Insights of CTK7C4399
The XLogP value of 4.70458 indicates that CTK7C4399 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.46 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK7C4399. Following Lipinski's Rule of Five, CTK7C4399 has 0 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 CTK7C4399?
The CAS number of CTK7C4399 is 1013252-85-1.
What is the molecular formula of CTK7C4399?
The molecular formula of CTK7C4399 is C22H22N2O5.
What is the molecular weight of CTK7C4399?
The molecular weight of CTK7C4399 is 394.15 g/mol.
Where can I buy CTK7C4399?
You can request a quote for CTK7C4399 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK7C4399?
Yes, KEHONG BIO provides custom synthesis services for CTK7C4399 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.