N-Desmethylpropyphenazone
TL;DR: N-Desmethylpropyphenazone (CAS 5455-52-7) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one
Also Known As: Norpropyphenazone, N-Desmethylpropyphenazone, 1,4-Diaminebenzene sulfate, 5-methyl-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one, 4-isopropyl-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 5455-52-7 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C(C)C |
| InChIKey | JEROJODGMFWEAA-UHFFFAOYSA-N |
Product Overview
N-Desmethylpropyphenazone (CAS 5455-52-7), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 5-methyl-2-phenyl-4-propan-2-yl-1H-pyrazol-3-one.
Chemical Property Profile of N-Desmethylpropyphenazone
Property Insights of N-Desmethylpropyphenazone
The XLogP value of 3.0 indicates that N-Desmethylpropyphenazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.3 Ų, N-Desmethylpropyphenazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Desmethylpropyphenazone has 1 hydrogen bond donor(s) and 2 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 N-Desmethylpropyphenazone?
The CAS number of N-Desmethylpropyphenazone is 5455-52-7.
What is the molecular formula of N-Desmethylpropyphenazone?
The molecular formula of N-Desmethylpropyphenazone is C13H16N2O.
What is the molecular weight of N-Desmethylpropyphenazone?
The molecular weight of N-Desmethylpropyphenazone is 216.13 g/mol.
Where can I buy N-Desmethylpropyphenazone?
You can request a quote for N-Desmethylpropyphenazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Desmethylpropyphenazone?
Yes, KEHONG BIO provides custom synthesis services for N-Desmethylpropyphenazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.