NCI60_026691
TL;DR: NCI60_026691 (CAS 216865-56-4) is a chemical compound with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(diethylamino)ethyl]-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11-trione
Also Known As: NCI60_026691, J1.022.274E, 6-(2-(Diethylamino)ethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11(6H,8H,10H)-trione, 6-(2-diethylaminoethyl)-8,10-dimethyl-purino[7,8-a]quinazoline-5,9,11-trione, 6-(2-diethylaminoethyl)-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11-trione
| Molecular Formula | C20H24N6O3 |
|---|---|
| Molecular Weight | 396.19 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 82.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.19098 |
| Heavy Atoms | 29 |
| Complexity | 683.0 |
Chemical Identifiers
| CAS Number | 216865-56-4 |
|---|---|
| SMILES | CCN(CC)CCN1C(=O)C2=CC=CC=C2N3C1=NC4=C3C(=O)N(C(=O)N4C)C |
| InChIKey | BBXZOBBJFMADFW-UHFFFAOYSA-N |
Product Overview
NCI60_026691 (CAS 216865-56-4), with molecular formula C20H24N6O3 and molecular weight 396.19 g/mol. IUPAC: 6-[2-(diethylamino)ethyl]-8,10-dimethylpurino[7,8-a]quinazoline-5,9,11-trione.
Chemical Property Profile of NCI60_026691
Property Insights of NCI60_026691
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_026691. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_026691. Following Lipinski's Rule of Five, NCI60_026691 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
Frequently Asked Questions
What is the CAS number of NCI60_026691?
The CAS number of NCI60_026691 is 216865-56-4.
What is the molecular formula of NCI60_026691?
The molecular formula of NCI60_026691 is C20H24N6O3.
What is the molecular weight of NCI60_026691?
The molecular weight of NCI60_026691 is 396.19 g/mol.
Where can I buy NCI60_026691?
You can request a quote for NCI60_026691 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_026691?
Yes, KEHONG BIO provides custom synthesis services for NCI60_026691 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.