PD 118717
TL;DR: PD 118717 (CAS 104229-37-0) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one
Also Known As: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one, methanesulfinothioic acid S-2-propenyl ester, 7-(3-(4-(2-Pyrimidinyl)-1-piperazinyl)propoxy)-2H-1-benzopyran-2-one sulfate, 2H-1-Benzopyran-2-one, 7-(3-(4-(2-pyrimidinyl)-1-piperazinyl)propoxy)-, 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one,s
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 515.0 |
Chemical Identifiers
| CAS Number | 104229-37-0 |
|---|---|
| SMILES | C1CN(CCN1CCCOC2=CC3=C(C=C2)C=CC(=O)O3)C4=NC=CC=N4 |
| InChIKey | VOVJICPSVGGMIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
PD 118717 (CAS 104229-37-0), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: 7-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]chromen-2-one.
Chemical Property Profile of PD 118717
Property Insights of PD 118717
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 118717. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 118717. Following Lipinski's Rule of Five, PD 118717 has 0 hydrogen bond donor(s) and 7 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 PD 118717?
The CAS number of PD 118717 is 104229-37-0.
What is the molecular formula of PD 118717?
The molecular formula of PD 118717 is C20H22N4O3.
What is the molecular weight of PD 118717?
The molecular weight of PD 118717 is 366.17 g/mol.
Where can I buy PD 118717?
You can request a quote for PD 118717 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for PD 118717?
Yes, KEHONG BIO provides custom synthesis services for PD 118717 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.