CTK5D2390
TL;DR: CTK5D2390 (CAS 7044-02-2) is a chemical compound with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-cyano-4-oxo-4-phenylmethoxybut-2-enylidene)-1,3,3-trimethylindole-5-carboxylate
Also Known As: 1H-Indole-5-carboxylic acid, 2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-butenylidene]-2,3-dihydro-1,3,3-trimethyl-, methyl ester, 1H-Indole-5-carboxylicacid,2-[3-cyano-4-oxo-4-(phenylmethoxy)-2-buten-1-ylidene]-2,3-dihydro-1,3,3-trimethyl-,methyl ester
| Molecular Formula | C25H24N2O4 |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 79.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1736 |
| Heavy Atoms | 31 |
| Complexity | 798.0 |
Chemical Identifiers
| CAS Number | 7044-02-2 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)C(=O)OC)N(C1=CC=C(C#N)C(=O)OCC3=CC=CC=C3)C)C |
| InChIKey | CMZXMMGJBKMTFM-UHFFFAOYSA-N |
Product Overview
CTK5D2390 (CAS 7044-02-2), with molecular formula C25H24N2O4 and molecular weight 416.17 g/mol. IUPAC: methyl 2-(3-cyano-4-oxo-4-phenylmethoxybut-2-enylidene)-1,3,3-trimethylindole-5-carboxylate.
Chemical Property Profile of CTK5D2390
Property Insights of CTK5D2390
The XLogP value of 4.8 indicates that CTK5D2390 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.6 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK5D2390. Following Lipinski's Rule of Five, CTK5D2390 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 CTK5D2390?
The CAS number of CTK5D2390 is 7044-02-2.
What is the molecular formula of CTK5D2390?
The molecular formula of CTK5D2390 is C25H24N2O4.
What is the molecular weight of CTK5D2390?
The molecular weight of CTK5D2390 is 416.17 g/mol.
Where can I buy CTK5D2390?
You can request a quote for CTK5D2390 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5D2390?
Yes, KEHONG BIO provides custom synthesis services for CTK5D2390 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.