NCI60_003496
TL;DR: NCI60_003496 (CAS 107089-88-3) is a chemical compound with molecular formula C14H18N4O2S and molecular weight 306.11505 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-(3,5,5-trimethyl-1H-pyrazol-2-yl)-1λ6,2,4-benzothiadiazine 1,1-dioxide
Also Known As: NCI60_003496, 4H-1,2,4-Benzothiadiazine, 3-(2,3-dihydro-3,3,5-trimethyl-1H-pyrazol-1-yl)-4-methyl-, S,S-dioxide, 3-(3',3',5'-Trimethylpyrazolyl)-4-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide, 4-methyl-3-(3,5,5-trimethyl-1H-pyrazol-2-yl)-1, 4-Methyl-3-(3,3,5-trimethyl-2,3-dihydro-1H-pyrazol-1-yl)-4H-1,2,4-benzothiadiazine 1,1-dioxide
Technical Specifications
| Molecular Formula | C14H18N4O2S |
| Molecular Weight | 306.11505 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 73.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 306.11505 Da |
| Heavy Atoms | 21 |
| Complexity | 603.0 |
| SMILES | CC1=CC(NN1C2=NS(=O)(=O)C3=CC=CC=C3N2C)(C)C |
| InChIKey | UNNNCHIUOKKUHT-UHFFFAOYSA-N |
Chemical Property Profile of NCI60_003496
Property Insights of NCI60_003496
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for NCI60_003496. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for NCI60_003496. Following Lipinski's Rule of Five, NCI60_003496 has 1 hydrogen bond donor(s) and 4 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_003496?
The CAS number of NCI60_003496 is 107089-88-3.
What is the molecular formula of NCI60_003496?
The molecular formula of NCI60_003496 is C14H18N4O2S.
What is the molecular weight of NCI60_003496?
The molecular weight of NCI60_003496 is 306.11505 g/mol.
Where can I buy NCI60_003496?
You can request a quote for NCI60_003496 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for NCI60_003496?
Yes, CoreyChem provides custom synthesis services for NCI60_003496 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.