(2-Phenyl-3,4-dihydropyrazol-5-yl) acetate
TL;DR: (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate (CAS 2748-21-2) is a chemical compound with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-phenyl-3,4-dihydropyrazol-5-yl) acetate
Also Known As: 1-Phenyl-3-acetoxy-2-pyrazoline, (2-phenyl-3,4-dihydropyrazol-5-yl) acetate, 3-acetoxy-1-phenyl-4,5-dihydro-1H-pyrazole, BIM-0013385.P001, 1-phenyl-4,5-dihydro-1H-pyrazol-3-yl acetate
| Molecular Formula | C11H12N2O2 |
|---|---|
| Molecular Weight | 204.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 204.08987 |
| Heavy Atoms | 15 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 2748-21-2 |
|---|---|
| SMILES | CC(=O)OC1=NN(CC1)C2=CC=CC=C2 |
| InChIKey | KEKBLIAQVPGFMT-UHFFFAOYSA-N |
Product Overview
(2-Phenyl-3,4-dihydropyrazol-5-yl) acetate (CAS 2748-21-2), with molecular formula C11H12N2O2 and molecular weight 204.09 g/mol. IUPAC: (2-phenyl-3,4-dihydropyrazol-5-yl) acetate.
Chemical Property Profile of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate
Property Insights of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate. With a topological polar surface area (TPSA) of 41.9 Ų, (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate 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 (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate?
The CAS number of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate is 2748-21-2.
What is the molecular formula of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate?
The molecular formula of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate is C11H12N2O2.
What is the molecular weight of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate?
The molecular weight of (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate is 204.09 g/mol.
Where can I buy (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate?
You can request a quote for (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (2-Phenyl-3,4-dihydropyrazol-5-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.