2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 861210-08-4) is a chemical compound with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
Also Known As: 2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-2,3-dihydro-1H-pyrazol-3-one, 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one, 2W-0277
| Molecular Formula | C10H18N2O2 |
|---|---|
| Molecular Weight | 198.14 g/mol |
| LogP | 0.77462 |
| Topological Polar Surface Area | 58.02 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.13683 |
| Heavy Atoms | 14 |
| Complexity | 368.45422 |
Chemical Identifiers
| CAS Number | 861210-08-4 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C(C)(C)C)CCO |
Product Overview
2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 861210-08-4), with molecular formula C10H18N2O2 and molecular weight 198.14 g/mol. IUPAC: 2-tert-butyl-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 0.77462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one. With a topological polar surface area (TPSA) of 58.02 Ų, 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 861210-08-4.
What is the molecular formula of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is C10H18N2O2.
What is the molecular weight of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 198.14 g/mol.
Where can I buy 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.