![4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/866/866137-92-0.png)
4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866137-92-0) is a chemical compound with molecular formula C17H15ClF2N4O and molecular weight 364.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2-[4-[chloro(difluoro)methyl]-6-methylpyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one
Also Known As: 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one, 4-benzyl-2-[4-(chlorodifluoromethyl)-6-methylpyrimidin-2-yl]-5-methyl-2,3-dihydro-1H-pyrazol-3-one, 4-benzyl-2-[4-[chloro(difluoro)methyl]-6-methylpyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one, 4-benzyl-2-[4-(chloro-difluoro-methyl)-6-methyl-pyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one, 4-benzyl-2-[4-[chloro(difluoro)methyl]-6-methyl-pyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one
| Molecular Formula | C17H15ClF2N4O |
|---|---|
| Molecular Weight | 364.09 g/mol |
| LogP | 3.45134 |
| Topological Polar Surface Area | 63.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.09024 |
| Heavy Atoms | 25 |
| Complexity | 961.0146 |
Chemical Identifiers
| CAS Number | 866137-92-0 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)C(=C(N2)C)CC3=CC=CC=C3)C(F)(F)Cl |
Product Overview
4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one (CAS 866137-92-0), with molecular formula C17H15ClF2N4O and molecular weight 364.09 g/mol. IUPAC: 4-benzyl-2-[4-[chloro(difluoro)methyl]-6-methylpyrimidin-2-yl]-5-methyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 3.45134 indicates that 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one has 1 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 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 866137-92-0.
What is the molecular formula of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one is C17H15ClF2N4O.
What is the molecular weight of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one is 364.09 g/mol.
Where can I buy 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-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 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-benzyl-2-{4-[chloro(difluoro)methyl]-6-methyl-2-pyrimidinyl}-5-methyl-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.