NCI60_018837
TL;DR: NCI60_018837 (CAS 150096-70-1) is a chemical compound with molecular formula C23H23BrN6O4 and molecular weight 526.09644 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-[[2-(dimethylamino)acetyl]amino]benzamide
Also Known As: NCI60_018837, J1.076.638I, 1-[2-(Dimethylaminoacetylamino)benzoyl]-3-[3-methyl-4-(5-bromopyrimidine-2-yloxy)phenyl]urea, N-({4-[(5-bromopyrimidin-2-yl)oxy]-3-methylphenyl}carbamoyl)-2-[(N,N-dimethylglycyl)amino]benzamide, N-(2-{[({4-[(5-bromopyrimidin-2-yl)oxy]-3-methylphenyl}carbamoyl)amino]carbonyl}phenyl)-2-(dimethylamino)acetamide
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H23BrN6O4 |
| Molecular Weight | 526.09644 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 526.09644 Da |
| Heavy Atoms | 34 |
| Complexity | 703.0 |
| SMILES | CC1=C(C=CC(=C1)NC(=O)NC(=O)C2=CC=CC=C2NC(=O)CN(C)C)OC3=NC=C(C=N3)Br |
| InChIKey | CJKOIHGIEJMVKX-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_018837
Property Insights of NCI60_018837
The XLogP value of 3.4 indicates that NCI60_018837 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_018837. Following Lipinski's Rule of Five, NCI60_018837 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_018837?
The CAS number of NCI60_018837 is 150096-70-1.
What is the molecular formula of NCI60_018837?
The molecular formula of NCI60_018837 is C23H23BrN6O4.
What is the molecular weight of NCI60_018837?
The molecular weight of NCI60_018837 is 526.09644 g/mol.
Where can I buy NCI60_018837?
You can request a quote for NCI60_018837 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_018837?
Yes, CoreyChem provides custom synthesis services for NCI60_018837 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.