CTK4D4045
TL;DR: CTK4D4045 (CAS 17178-90-4) is a chemical compound with molecular formula C27H24ClN3O5 and molecular weight 505.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
Also Known As: N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-chloro-2,4-dimethyl-6, N-[2-BENZO[1,3]DIOXOL-5-YL-1-[[1-(3-CHLORO-2,4-DIMETHYL-6-OXO-1-CYCLOHEXA-2,4-DIENYLIDENE)ETHYLAMINO]CARBAMOYL]VINYL]BENZAMIDE, N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-chloro-2,4-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide
| Molecular Formula | C27H24ClN3O5 |
|---|---|
| Molecular Weight | 505.14 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.14044 |
| Heavy Atoms | 36 |
| Complexity | 858.0 |
Chemical Identifiers
| CAS Number | 17178-90-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1Cl)C)C(=NNC(=O)C(=CC2=CC3=C(C=C2)OCO3)NC(=O)C4=CC=CC=C4)C)O |
| InChIKey | BXIKYJOEQIDXGB-UHFFFAOYSA-N |
Product Overview
CTK4D4045 (CAS 17178-90-4), with molecular formula C27H24ClN3O5 and molecular weight 505.14 g/mol. IUPAC: N-[1-(1,3-benzodioxol-5-yl)-3-[2-[1-(3-chloro-6-hydroxy-2,4-dimethylphenyl)ethylidene]hydrazinyl]-3-oxoprop-1-en-2-yl]benzamide.
Chemical Property Profile of CTK4D4045
Property Insights of CTK4D4045
The XLogP value of 5.3 indicates that CTK4D4045 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4D4045. Following Lipinski's Rule of Five, CTK4D4045 has 3 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 CTK4D4045?
The CAS number of CTK4D4045 is 17178-90-4.
What is the molecular formula of CTK4D4045?
The molecular formula of CTK4D4045 is C27H24ClN3O5.
What is the molecular weight of CTK4D4045?
The molecular weight of CTK4D4045 is 505.14 g/mol.
Where can I buy CTK4D4045?
You can request a quote for CTK4D4045 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4D4045?
Yes, KEHONG BIO provides custom synthesis services for CTK4D4045 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.