NCI60_030264
TL;DR: NCI60_030264 (CAS 163684-12-6) is a chemical compound with molecular formula C21H29ClN4O2 and molecular weight 404.1979 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[1-(5-chloro-2-pyridinyl)-2,5-dimethyl-4-(morpholin-4-ylmethyl)pyrrol-3-yl]methyl]morpholine
Also Known As: NCI60_030264, 4-[[1-(5-chloro-2-pyridyl)-2,5-dimethyl-4-(morpholinomethyl)pyrrol-3-yl]methyl]morpholine, 4,4'-{[1-(5-Chloropyridin-2-yl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene)}bis(morpholine), 4,4'-{[1-(5-chloropyridin-2-yl)-2,5-dimethyl-1h-pyrrole-3,4-diyl]dimethanediyl}dimorpholine, 4,4a(2)-[[1-(5-Chloro-2-pyridinyl)-2,5-dimethyl-1H-pyrrole-3,4-diyl]bis(methylene)]bis[morpholine]
Technical Specifications
| Molecular Formula | C21H29ClN4O2 |
| Molecular Weight | 404.1979 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 42.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.1979 Da |
| Heavy Atoms | 28 |
| Complexity | 455.0 |
| SMILES | CC1=C(C(=C(N1C2=NC=C(C=C2)Cl)C)CN3CCOCC3)CN4CCOCC4 |
| InChIKey | UQUYNXIWPFQUTI-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_030264
Property Insights of NCI60_030264
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_030264. With a topological polar surface area (TPSA) of 42.8 Ų, NCI60_030264 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_030264 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of NCI60_030264?
The CAS number of NCI60_030264 is 163684-12-6.
What is the molecular formula of NCI60_030264?
The molecular formula of NCI60_030264 is C21H29ClN4O2.
What is the molecular weight of NCI60_030264?
The molecular weight of NCI60_030264 is 404.1979 g/mol.
Where can I buy NCI60_030264?
You can request a quote for NCI60_030264 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_030264?
Yes, CoreyChem provides custom synthesis services for NCI60_030264 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.