![2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one structure](/static/products/4428/442872-58-4.webp)
2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one
TL;DR: 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one (CAS 442872-58-4) 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.
3-(4-propan-2-yloxyphenyl)-1,4-dihydropyrazol-5-one
Also Known As: 2,4-dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one, 3-[4-(propan-2-yloxy)phenyl]-4,5-dihydro-1H-pyrazol-5-one, 3-[4-(methylethoxy)phenyl]-2-pyrazolin-5-one, 3-(4-propan-2-yloxyphenyl)-1,4-dihydropyrazol-5-one, A2618/0111354
| Molecular Formula | C12H14N2O2 |
|---|---|
| Molecular Weight | 218.11 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 218.10553 |
| Heavy Atoms | 16 |
| Complexity | 291.0 |
Chemical Identifiers
| CAS Number | 442872-58-4 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)C2=NNC(=O)C2 |
| InChIKey | SSXSNEUANSULLJ-UHFFFAOYSA-N |
Product Overview
2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one (CAS 442872-58-4), with molecular formula C12H14N2O2 and molecular weight 218.11 g/mol. IUPAC: 3-(4-propan-2-yloxyphenyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one
Property Insights of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one. With a topological polar surface area (TPSA) of 50.7 Ų, 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-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 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one?
The CAS number of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one is 442872-58-4.
What is the molecular formula of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one?
The molecular formula of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one is C12H14N2O2.
What is the molecular weight of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one?
The molecular weight of 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one is 218.11 g/mol.
Where can I buy 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one?
You can request a quote for 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-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 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-5-[4-(1-methylethoxy)phenyl]-3h-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.