NCI60_026694
TL;DR: NCI60_026694 (CAS 216865-63-3) is a chemical compound with molecular formula C20H25N7O3 and molecular weight 411.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-[3-(diethylamino)propyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione
Also Known As: NCI60_026694, 3-(diethylamino)propyl-dimethyl-[?]trione, J1.022.281H, 6-(3-(Diethylamino)propyl)-8,10-dimethylpyrido[3',2':5,6]pyrimido[2,1-f]purine-5,9,11(6H,8H,10H)-trione, 6-[3-(Diethylamino)propyl]-8,10-dimethyl-1,6,7,8,10,11b-hexaaza-11bH-benzo[c]fluorene-5,9,11(6H,8H,10H)-trione
| Molecular Formula | C20H25N7O3 |
|---|---|
| Molecular Weight | 411.20 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.20187 |
| Heavy Atoms | 30 |
| Complexity | 700.0 |
Chemical Identifiers
| CAS Number | 216865-63-3 |
|---|---|
| SMILES | CCN(CC)CCCN1C(=O)C2=C(N=CC=C2)N3C1=NC4=C3C(=O)N(C(=O)N4C)C |
| InChIKey | DOVFXTDHEPTNRJ-UHFFFAOYSA-N |
Product Overview
NCI60_026694 (CAS 216865-63-3), with molecular formula C20H25N7O3 and molecular weight 411.20 g/mol. IUPAC: 9-[3-(diethylamino)propyl]-13,15-dimethyl-1,3,9,11,13,15-hexazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,10,12(17)-pentaene-8,14,16-trione.
Chemical Property Profile of NCI60_026694
Property Insights of NCI60_026694
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_026694. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_026694. Following Lipinski's Rule of Five, NCI60_026694 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 NCI60_026694?
The CAS number of NCI60_026694 is 216865-63-3.
What is the molecular formula of NCI60_026694?
The molecular formula of NCI60_026694 is C20H25N7O3.
What is the molecular weight of NCI60_026694?
The molecular weight of NCI60_026694 is 411.20 g/mol.
Where can I buy NCI60_026694?
You can request a quote for NCI60_026694 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_026694?
Yes, KEHONG BIO provides custom synthesis services for NCI60_026694 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.