NCI60_014252
TL;DR: NCI60_014252 (CAS 49847-44-1) is a chemical compound with molecular formula C20H16ClNO6 and molecular weight 401.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide
Also Known As: NCI60_014252, N-(3-Chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide, N-(3-chloro-1,4-dioxo-2-naphthyl)-2-(4,4-dimethyl-2,6-dioxo-cyclohexyl)-2-oxo-acetamide, N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide
| Molecular Formula | C20H16ClNO6 |
|---|---|
| Molecular Weight | 401.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 401.06662 |
| Heavy Atoms | 28 |
| Complexity | 820.0 |
Chemical Identifiers
| CAS Number | 49847-44-1 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)C(=O)C(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl)C |
| InChIKey | YEOQJIQIIMGULX-UHFFFAOYSA-N |
Product Overview
NCI60_014252 (CAS 49847-44-1), with molecular formula C20H16ClNO6 and molecular weight 401.07 g/mol. IUPAC: N-(3-chloro-1,4-dioxonaphthalen-2-yl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide.
Chemical Property Profile of NCI60_014252
Property Insights of NCI60_014252
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_014252. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_014252. Following Lipinski's Rule of Five, NCI60_014252 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
Frequently Asked Questions
What is the CAS number of NCI60_014252?
The CAS number of NCI60_014252 is 49847-44-1.
What is the molecular formula of NCI60_014252?
The molecular formula of NCI60_014252 is C20H16ClNO6.
What is the molecular weight of NCI60_014252?
The molecular weight of NCI60_014252 is 401.07 g/mol.
Where can I buy NCI60_014252?
You can request a quote for NCI60_014252 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_014252?
Yes, KEHONG BIO provides custom synthesis services for NCI60_014252 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.