NCI60_015063
TL;DR: NCI60_015063 (CAS 154094-96-9) is a chemical compound with molecular formula C12H15N7O5 and molecular weight 337.11346 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methyl-5-nitroimidazol-1-yl)-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide
Also Known As: NCI60_015063, 2-(2-methyl-5-nitroimidazol-1-yl)-N-[2-(2-methyl-5-nitroimidazol-1-yl)ethyl]acetamide, 2-Methyl-N-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-5-nitro-1H-imidazole-1-acetamide, 2-[2-METHYL-3-[2-(2-METHYL-5-NITRO-IMIDAZOL-1-YL)ETHYL]-5-NITRO-2H-IMI DAZOL-1-YL]ACETAMIDE, 1H-Imidazole-1-acetamide,2-methyl-N-[2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl]-5-nitro
Technical Specifications
| Molecular Formula | C12H15N7O5 |
| Molecular Weight | 337.11346 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.11346 Da |
| Heavy Atoms | 24 |
| Complexity | 493.0 |
| SMILES | CC1=NC=C(N1CCNC(=O)CN2C(=NC=C2[N+](=O)[O-])C)[N+](=O)[O-] |
| InChIKey | KMCIIMXLGQMJCT-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_015063
Property Insights of NCI60_015063
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_015063. The TPSA of 156.0 Ų indicates high polarity, suggesting NCI60_015063 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_015063 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of NCI60_015063?
The CAS number of NCI60_015063 is 154094-96-9.
What is the molecular formula of NCI60_015063?
The molecular formula of NCI60_015063 is C12H15N7O5.
What is the molecular weight of NCI60_015063?
The molecular weight of NCI60_015063 is 337.11346 g/mol.
Where can I buy NCI60_015063?
You can request a quote for NCI60_015063 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_015063?
Yes, CoreyChem provides custom synthesis services for NCI60_015063 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.