(2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone
TL;DR: (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone (CAS 91026-21-0) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyloxiran-2-yl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
Also Known As: (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone, (2-methyloxiran-2-yl)(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone, (2-methyloxiran-2-yl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.0874 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 477.45264 |
Chemical Identifiers
| CAS Number | 91026-21-0 |
|---|---|
| SMILES | CC1(CO1)C(=O)C2=NNCC2C3=CC=CC=C3 |
Product Overview
(2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone (CAS 91026-21-0), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: (2-methyloxiran-2-yl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)methanone.
Chemical Property Profile of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone
Property Insights of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone
The XLogP value of 1.0874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone. With a topological polar surface area (TPSA) of 53.99 Ų, (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone has 1 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-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone?
The CAS number of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone is 91026-21-0.
What is the molecular formula of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone?
The molecular formula of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone is C13H14N2O2.
What is the molecular weight of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone?
The molecular weight of (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone is 230.11 g/mol.
Where can I buy (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone?
You can request a quote for (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Methyl-oxiranyl)-(4-phenyl-4,5-dihydro-1H-pyrazol-3-yl)-methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.