NCI60_029680
TL;DR: NCI60_029680 (CAS 146065-61-4) is a chemical compound with molecular formula C25H26N4O2 and molecular weight 414.20557 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,25-dioxa-11,14,17,31-tetrazatetracyclo[25.3.1.04,9.019,24]hentriaconta-1(31),4,6,8,10,17,19,21,23,27,29-undecaene
Also Known As: NCI60_029680, 21,22,23,24-Tetrahydro-12H-7,11-nitrilo-6H,20H-dibenzo(b,m)(1,15,5,8,11)dioxatriazacyclodocosine, 12H-7,11-Nitrilo-6H,20H-dibenzo(b,m)(1,15,5,8,11)dioxatriazacyclodocosine, 21,22,23,24-tetrahydro-, (18Z,25Z)-, 12H-7,20H-dibenzo[b,m][1,15,5,8,11] dioxatriazacyclodocosine, 21,22,23,24-tetrahydro-, 12H-7,11-NITRILO-6H,20H-DIBENZO(B,M)(1,15,5,8,11)DIOXATRIAZACYCLODOCOSINE, 21,22,23,24-TETRAHYDRO-
Technical Specifications
| Molecular Formula | C25H26N4O2 |
| Molecular Weight | 414.20557 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 68.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 414.20557 Da |
| Heavy Atoms | 31 |
| Complexity | 524.0 |
| SMILES | C1CN=CC2=CC=CC=C2OCC3=NC(=CC=C3)COC4=CC=CC=C4C=NCCN1 |
| InChIKey | CPUMPYHWJQXHHV-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_029680
Property Insights of NCI60_029680
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_029680. The TPSA of 68.1 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029680. Following Lipinski's Rule of Five, NCI60_029680 has 1 hydrogen bond donor(s) and 6 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_029680?
The CAS number of NCI60_029680 is 146065-61-4.
What is the molecular formula of NCI60_029680?
The molecular formula of NCI60_029680 is C25H26N4O2.
What is the molecular weight of NCI60_029680?
The molecular weight of NCI60_029680 is 414.20557 g/mol.
Where can I buy NCI60_029680?
You can request a quote for NCI60_029680 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_029680?
Yes, CoreyChem provides custom synthesis services for NCI60_029680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.