Pyrophtalone
TL;DR: Pyrophtalone (CAS 62295-52-7) is a chemical compound with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-methyl-1-(2-piperidin-1-ylethyl)-4-pyridinylidene]indene-1,3-dione
Also Known As: Pyrophtalone, PPET-l, Sid 775557, (2-Methyl-1-(2-piperidino-1-ethyl)-2-(1,4-dihydro-4-pyridylidene))-1,3-indenedione, (Methyl-2 (piperidino-2 ethyl-1)-1 dihydro 1-4 pyridylidene-4 yl)-2 indanedione 1-3
| Molecular Formula | C22H24N2O2 |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.18378 |
| Heavy Atoms | 26 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 62295-52-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=O)C3=CC=CC=C3C2=O)C=CN1CCN4CCCCC4 |
| InChIKey | XSIKFXCUMRSDMZ-UHFFFAOYSA-N |
Product Overview
Pyrophtalone (CAS 62295-52-7), with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol. IUPAC: 2-[2-methyl-1-(2-piperidin-1-ylethyl)-4-pyridinylidene]indene-1,3-dione.
Chemical Property Profile of Pyrophtalone
Property Insights of Pyrophtalone
The XLogP value of 3.5 indicates that Pyrophtalone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.6 Ų, Pyrophtalone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrophtalone 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 Pyrophtalone?
The CAS number of Pyrophtalone is 62295-52-7.
What is the molecular formula of Pyrophtalone?
The molecular formula of Pyrophtalone is C22H24N2O2.
What is the molecular weight of Pyrophtalone?
The molecular weight of Pyrophtalone is 348.18 g/mol.
Where can I buy Pyrophtalone?
You can request a quote for Pyrophtalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrophtalone?
Yes, KEHONG BIO provides custom synthesis services for Pyrophtalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.