NCI60_013879
TL;DR: NCI60_013879 (CAS 908805-47-0) is a chemical compound with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxobutanamide
Also Known As: NCI60_013879, 4-{2-[(3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino]phenyl}-N-(2-methoxyphenyl)-2,4-dioxobutanamide, 4-(2-((3,4-Dioxo-3,4-dihydronaphthalen-1-yl)amino)phenyl)-N-(2-methoxyphenyl)-2,4-dioxobutanamide, 4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxobutanamide, 4-[2-[(3,4-dioxo-1-naphthyl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxo-butanamide
| Molecular Formula | C27H20N2O6 |
|---|---|
| Molecular Weight | 468.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 119.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.13214 |
| Heavy Atoms | 35 |
| Complexity | 896.0 |
Chemical Identifiers
| CAS Number | 908805-47-0 |
|---|---|
| SMILES | COC1=CC=CC=C1NC(=O)C(=O)CC(=O)C2=CC=CC=C2NC3=CC(=O)C(=O)C4=CC=CC=C43 |
| InChIKey | AMUNALPHHIVLDN-UHFFFAOYSA-N |
Product Overview
NCI60_013879 (CAS 908805-47-0), with molecular formula C27H20N2O6 and molecular weight 468.13 g/mol. IUPAC: 4-[2-[(3,4-dioxonaphthalen-1-yl)amino]phenyl]-N-(2-methoxyphenyl)-2,4-dioxobutanamide.
Chemical Property Profile of NCI60_013879
Property Insights of NCI60_013879
The XLogP value of 3.8 indicates that NCI60_013879 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_013879. Following Lipinski's Rule of Five, NCI60_013879 has 2 hydrogen bond donor(s) and 7 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_013879?
The CAS number of NCI60_013879 is 908805-47-0.
What is the molecular formula of NCI60_013879?
The molecular formula of NCI60_013879 is C27H20N2O6.
What is the molecular weight of NCI60_013879?
The molecular weight of NCI60_013879 is 468.13 g/mol.
Where can I buy NCI60_013879?
You can request a quote for NCI60_013879 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_013879?
Yes, KEHONG BIO provides custom synthesis services for NCI60_013879 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.