CTK4A4412
TL;DR: CTK4A4412 (CAS 1061-21-8) is a chemical compound with molecular formula C25H26ClN3O6 and molecular weight 499.151 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
but-2-enedioic acid;7-chloro-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Also Known As: 7-Chloro-1,3-dihydro-1-(2-morpholinoethyl)-5-phenyl-2H-1,4-benzodiazepin-2-one maleate, 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-7-chloro-1-(2-morpholinoethyl)-5-phenyl-, maleate (1:1), 7-CHLORO-1-(2-MORPHOLINOETHYL)-5-PHENYL-1H-BENZO[E][1,4]DIAZEPIN-2(3H)-ONE MALEATE
Technical Specifications
| Molecular Formula | C25H26ClN3O6 |
| Molecular Weight | 499.151 g/mol |
| XLogP | 2.57 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.151 Da |
| Heavy Atoms | 35 |
| Complexity | 663.0 |
| SMILES | C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O |
| InChIKey | KNYVYXXKGWCFFE-UHFFFAOYSA-N |
Chemical Property Profile of CTK4A4412
Property Insights of CTK4A4412
The XLogP value of 2.57 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK4A4412. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for CTK4A4412. Following Lipinski's Rule of Five, CTK4A4412 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of CTK4A4412?
The CAS number of CTK4A4412 is 1061-21-8.
What is the molecular formula of CTK4A4412?
The molecular formula of CTK4A4412 is C25H26ClN3O6.
What is the molecular weight of CTK4A4412?
The molecular weight of CTK4A4412 is 499.151 g/mol.
Where can I buy CTK4A4412?
You can request a quote for CTK4A4412 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for CTK4A4412?
Yes, CoreyChem provides custom synthesis services for CTK4A4412 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.