CTK9A2621
TL;DR: CTK9A2621 (CAS 72453-58-8) is a chemical compound with molecular formula C40H32N2O4 and molecular weight 604.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-anilino-16-benzoyl-12-[4-(2-methylbutan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione
Also Known As: EC 412-480-2, 1-benzoyl-4-[4-(1,1-dimethylpropyl)phenoxy]-6-(phenylamino)-3h-dibenz[f,ij]isoquinoline-2,7-dione, 1-benzoyl-4-[4- phenoxy]-6-3h-dibenz[f,ij]isoquinoline-2,7-dione, 1-Benzoyl-4-(4-(1,1-dimethylpropyl)phenoxy)-6-(phenylamino)-3H-dibenz(f,i,j)isoquinoline-2,7-dione, 1-Benzoyl-4-[4- phenoxy]-6- -3H-dibenz[f,ij]isoquinoline-2,7-dione
| Molecular Formula | C40H32N2O4 |
|---|---|
| Molecular Weight | 604.24 g/mol |
| LogP | 9.194 |
| Topological Polar Surface Area | 88.26 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.2362 |
| Heavy Atoms | 46 |
| Complexity | 2199.6318 |
Chemical Identifiers
| CAS Number | 72453-58-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC=C(C=C1)OC2=C3C4=C(C(=C2)NC5=CC=CC=C5)C(=O)C6=CC=CC=C6C4=C(C(=O)N3)C(=O)C7=CC=CC=C7 |
Product Overview
CTK9A2621 (CAS 72453-58-8), with molecular formula C40H32N2O4 and molecular weight 604.24 g/mol. IUPAC: 10-anilino-16-benzoyl-12-[4-(2-methylbutan-2-yl)phenoxy]-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaene-8,15-dione.
Chemical Property Profile of CTK9A2621
Property Insights of CTK9A2621
The XLogP value of 9.194 indicates that CTK9A2621 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.26 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK9A2621. Following Lipinski's Rule of Five, CTK9A2621 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK9A2621?
The CAS number of CTK9A2621 is 72453-58-8.
What is the molecular formula of CTK9A2621?
The molecular formula of CTK9A2621 is C40H32N2O4.
What is the molecular weight of CTK9A2621?
The molecular weight of CTK9A2621 is 604.24 g/mol.
Where can I buy CTK9A2621?
You can request a quote for CTK9A2621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK9A2621?
Yes, KEHONG BIO provides custom synthesis services for CTK9A2621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.