NCI60_029864
TL;DR: NCI60_029864 (CAS 160031-37-8) is a chemical compound with molecular formula C29H33N7O4 and molecular weight 543.2594 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate
Also Known As: NCI60_029864, Pyrido(2,3-d)pyrimidine-5-carboxylic acid, 1,2,3,4-tetrahydro-2,4-dioxo-7-methyl-3-phenyl-1-(4-(4-(2-pyrimidinyl)-1-piperazinyl)butyl)-, ethyl ester, ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate, ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]pyrido[2,3-d]pyrimidine-5-carboxylate, Ethyl 7-methyl-2,4-dioxo-3-phenyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]- 1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-5-carboxylate
Technical Specifications
| Molecular Formula | C29H33N7O4 |
| Molecular Weight | 543.2594 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 543.2594 Da |
| Heavy Atoms | 40 |
| Complexity | 870.0 |
| SMILES | CCOC(=O)C1=C2C(=NC(=C1)C)N(C(=O)N(C2=O)C3=CC=CC=C3)CCCCN4CCN(CC4)C5=NC=CC=N5 |
| InChIKey | GIOYYUIAQGOYMQ-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_029864
Property Insights of NCI60_029864
The XLogP value of 3.2 indicates that NCI60_029864 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_029864. Following Lipinski's Rule of Five, NCI60_029864 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of NCI60_029864?
The CAS number of NCI60_029864 is 160031-37-8.
What is the molecular formula of NCI60_029864?
The molecular formula of NCI60_029864 is C29H33N7O4.
What is the molecular weight of NCI60_029864?
The molecular weight of NCI60_029864 is 543.2594 g/mol.
Where can I buy NCI60_029864?
You can request a quote for NCI60_029864 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_029864?
Yes, CoreyChem provides custom synthesis services for NCI60_029864 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.