3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
TL;DR: 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE (CAS 1024082-62-9) is a chemical compound with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenylpyrazol-3-one
Also Known As: 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenylpyrazol-3-one, 4-bromo-5-[(2,2-dimethyl-3H-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenyl-pyrazol-3-one, 4-bromo-5-{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]methyl}-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C21H21BrN2O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 4.231 |
| Topological Polar Surface Area | 45.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.07355 |
| Heavy Atoms | 27 |
| Complexity | 1051.2789 |
Chemical Identifiers
| CAS Number | 1024082-62-9 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OCC3=C(C(=O)N(N3C)C4=CC=CC=C4)Br)C |
Product Overview
3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE (CAS 1024082-62-9), with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol. IUPAC: 4-bromo-5-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxymethyl]-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
Property Insights of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE
The XLogP value of 4.231 indicates that 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.39 Ų, 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 3 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 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE?
The CAS number of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE is 1024082-62-9.
What is the molecular formula of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE?
The molecular formula of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE is C21H21BrN2O3.
What is the molecular weight of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE?
The molecular weight of 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE is 428.07 g/mol.
Where can I buy 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE?
You can request a quote for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-((2,2-DIMETHYL(3-OXAINDAN-4-YLOXY))METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.