丙吡喃酮
TL;DR: 丙吡喃酮 (CAS 479-92-5) is a chemical compound with molecular formula C14H18N2O and molecular weight 230.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丙吡喃酮
1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one
Also Known As: Propyphenazone, isopropylantipyrine, Isopropylphenazone, 4-Isopropylantipyrine, Isopropyrine
| Molecular Formula | C14H18N2O |
|---|---|
| Molecular Weight | 230.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 230.1419 |
| Heavy Atoms | 17 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 479-92-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1C)C2=CC=CC=C2)C(C)C |
| InChIKey | PXWLVJLKJGVOKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丙吡喃酮 (CAS 479-92-5), with molecular formula C14H18N2O and molecular weight 230.14 g/mol. IUPAC: 1,5-dimethyl-2-phenyl-4-propan-2-ylpyrazol-3-one.
Chemical Property Profile of 丙吡喃酮
Property Insights of 丙吡喃酮
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丙吡喃酮. With a topological polar surface area (TPSA) of 23.6 Ų, 丙吡喃酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙安替比林 has 0 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 异丙安替比林?
The CAS number of 异丙安替比林 is 479-92-5.
What is the molecular formula of 异丙安替比林?
The molecular formula of 异丙安替比林 is C14H18N2O.
What is the molecular weight of 异丙安替比林?
The molecular weight of 异丙安替比林 is 230.14 g/mol.
Where can I buy 异丙安替比林?
You can request a quote for 异丙安替比林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙安替比林?
Yes, KEHONG BIO provides custom synthesis services for 异丙安替比林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.