3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole
TL;DR: 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole (CAS 1005922-44-0) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1H-pyrazole
Also Known As: Maybridge1_004974, 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole, 3-(2,2-Dimethyl-3,4-Dihydro-2H-Chromen-6-Yl)-1H-Pyrazole, BRD-K52351478-001-01-0, 5-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-1H-pyrazole
Technical Specifications
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.12627 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.12627 Da |
| Heavy Atoms | 17 |
| Complexity | 279.0 |
| SMILES | CC1(CCC2=C(O1)C=CC(=C2)C3=CC=NN3)C |
| InChIKey | NTXYUGGSGPFFBQ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole
Property Insights of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole. With a topological polar surface area (TPSA) of 37.9 Ų, 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole?
The CAS number of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole is 1005922-44-0.
What is the molecular formula of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole?
The molecular formula of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole is C14H16N2O.
What is the molecular weight of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole?
The molecular weight of 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole is 228.12627 g/mol.
Where can I buy 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole?
You can request a quote for 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 3-(2,2-Dimethylchroman-6-yl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.