NCI60_007296
TL;DR: NCI60_007296 (CAS 103955-73-3) is a chemical compound with molecular formula C18H11ClN6O7 and molecular weight 458.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide
Also Known As: NCI60_007296, Benzamide, N-(((4-((5-chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitro-, N-(2-Nitrobenzoyl)-N'-(4-(5-chloro-2-pyrimidinyloxy)-3-nitrophenyl)urea, N-(((4-((5-Chloro-2-pyrimidinyl)oxy)-3-nitrophenyl)amino)carbonyl)-2-nitrobenzamide, n-({4-[(5-chloropyrimidin-2-yl)oxy]-3-nitrophenyl}carbamoyl)-2-nitrobenzamide
| Molecular Formula | C18H11ClN6O7 |
|---|---|
| Molecular Weight | 458.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 185.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.03778 |
| Heavy Atoms | 32 |
| Complexity | 709.0 |
Chemical Identifiers
| CAS Number | 103955-73-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Cl)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | HUXRBUKWTWHLEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_007296 (CAS 103955-73-3), with molecular formula C18H11ClN6O7 and molecular weight 458.04 g/mol. IUPAC: N-[[4-(5-chloropyrimidin-2-yl)oxy-3-nitrophenyl]carbamoyl]-2-nitrobenzamide.
Chemical Property Profile of NCI60_007296
Property Insights of NCI60_007296
The XLogP value of 3.3 indicates that NCI60_007296 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 185.0 Ų indicates high polarity, suggesting NCI60_007296 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_007296 has 2 hydrogen bond donor(s) and 9 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_007296?
The CAS number of NCI60_007296 is 103955-73-3.
What is the molecular formula of NCI60_007296?
The molecular formula of NCI60_007296 is C18H11ClN6O7.
What is the molecular weight of NCI60_007296?
The molecular weight of NCI60_007296 is 458.04 g/mol.
Where can I buy NCI60_007296?
You can request a quote for NCI60_007296 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_007296?
Yes, KEHONG BIO provides custom synthesis services for NCI60_007296 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.