NCI60_019188
TL;DR: NCI60_019188 (CAS 136944-88-2) is a chemical compound with molecular formula C12H19IN4O6 and molecular weight 442.03494 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2,3-dihydroxypropyl)-1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-4-iodopyrazole-3-carboxamide
Also Known As: NCI60_019188, N-(2,3-Dihydroxypropyl)-1-{2-[(2,3-dihydroxypropyl)amino]-2-oxoethyl}-4-iodo-1H-pyrazole-3-carboxamide, N-(2,3-dihydroxypropyl)-1-[2-(2,3-dihydroxypropylamino)-2-oxo-ethyl]-4-iodo-pyrazole-3-carboxamide, N-(2,3-dihydroxypropyl)-1-[2-(2,3-dihydroxypropylamino)-2-oxoethyl]-4-iodopyrazole-3-carboxamide, N-(2,3-Dihydroxypropyl)-3-[[(2,3-dihydroxypropyl)amino]carbonyl]-4-iodo-1H-pyrazole-1-acetamide
Technical Specifications
| Molecular Formula | C12H19IN4O6 |
| Molecular Weight | 442.03494 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 157.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 442.03494 Da |
| Heavy Atoms | 23 |
| Complexity | 402.0 |
| SMILES | C1=C(C(=NN1CC(=O)NCC(CO)O)C(=O)NCC(CO)O)I |
| InChIKey | AYQSTUAFJLIQME-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_019188
Property Insights of NCI60_019188
The XLogP value of -2.7 indicates that NCI60_019188 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 157.0 Ų indicates high polarity, suggesting NCI60_019188 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, NCI60_019188 has 6 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_019188?
The CAS number of NCI60_019188 is 136944-88-2.
What is the molecular formula of NCI60_019188?
The molecular formula of NCI60_019188 is C12H19IN4O6.
What is the molecular weight of NCI60_019188?
The molecular weight of NCI60_019188 is 442.03494 g/mol.
Where can I buy NCI60_019188?
You can request a quote for NCI60_019188 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_019188?
Yes, CoreyChem provides custom synthesis services for NCI60_019188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.