CTK4D4042
TL;DR: CTK4D4042 (CAS 17178-82-4) is a chemical compound with molecular formula C26H23ClN4O6 and molecular weight 522.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[2-[1-(5-chloro-2-hydroxy-4-methylphenyl)ethylidene]hydrazinyl]-1-(4-methoxy-3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide
Also Known As: N-[3-[2-[1-(3-chloro-4-methyl-6-oxocyclohexa-2,4-dien-1-ylid, 2-Propenoic acid,2-(benzoylamino)-3-(4-methoxy-3-nitrophenyl)-,2-[1-(5-chloro-2-hydroxy-4-methylphenyl)ethylidene]hydrazide
| Molecular Formula | C26H23ClN4O6 |
|---|---|
| Molecular Weight | 522.13 g/mol |
| LogP | 4.58212 |
| Topological Polar Surface Area | 143.16 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 522.1306 |
| Heavy Atoms | 37 |
| Complexity | 1420.0643 |
Chemical Identifiers
| CAS Number | 17178-82-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)C(=NNC(=O)C(=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])NC(=O)C3=CC=CC=C3)C)O |
Product Overview
CTK4D4042 (CAS 17178-82-4), with molecular formula C26H23ClN4O6 and molecular weight 522.13 g/mol. IUPAC: N-[3-[2-[1-(5-chloro-2-hydroxy-4-methylphenyl)ethylidene]hydrazinyl]-1-(4-methoxy-3-nitrophenyl)-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of CTK4D4042
Property Insights of CTK4D4042
The XLogP value of 4.58212 indicates that CTK4D4042 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.16 Ų indicates high polarity, suggesting CTK4D4042 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4D4042 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4D4042?
The CAS number of CTK4D4042 is 17178-82-4.
What is the molecular formula of CTK4D4042?
The molecular formula of CTK4D4042 is C26H23ClN4O6.
What is the molecular weight of CTK4D4042?
The molecular weight of CTK4D4042 is 522.13 g/mol.
Where can I buy CTK4D4042?
You can request a quote for CTK4D4042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D4042?
Yes, KEHONG BIO provides custom synthesis services for CTK4D4042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.