1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline
TL;DR: 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline (CAS 2748-22-3) is a chemical compound with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methyl-2-phenyl-3,4-dihydropyrazol-5-yl) acetate
Also Known As: 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline, 3-acetoxy-4-methyl-1-phenyl-4,5-dihydro-1H-pyrazole, (4-methyl-2-phenyl-3,4-dihydropyrazol-5-yl) acetate
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 2748-22-3 |
|---|---|
| SMILES | CC1CN(N=C1OC(=O)C)C2=CC=CC=C2 |
| InChIKey | XPGTVRIUDBONFO-UHFFFAOYSA-N |
Product Overview
1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline (CAS 2748-22-3), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: (4-methyl-2-phenyl-3,4-dihydropyrazol-5-yl) acetate.
Chemical Property Profile of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline
Property Insights of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline. With a topological polar surface area (TPSA) of 41.9 Ų, 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline has 0 hydrogen bond donor(s) and 4 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 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline?
The CAS number of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline is 2748-22-3.
What is the molecular formula of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline?
The molecular formula of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline is C12H14N2O2.
What is the molecular weight of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline?
The molecular weight of 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline is 218.11 g/mol.
Where can I buy 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline?
You can request a quote for 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-3-acetoxy-4-methyl-2-pyrazoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.