Diacylglycerol Kinase Inhibitor Ii
TL;DR: Diacylglycerol Kinase Inhibitor Ii (CAS 120166-69-0) is a chemical compound with molecular formula C28H25F2N3OS and molecular weight 489.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one
Also Known As: diacylglycerol kinase inhibitor ii, DAG Kinase Inhibitor, DAG Kinase Inhibitor II, HSCI1_000348, SDCCGSBI-0086668.P003
| Molecular Formula | C28H25F2N3OS |
|---|---|
| Molecular Weight | 489.17 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 67.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 489.16864 |
| Heavy Atoms | 35 |
| Complexity | 770.0 |
Chemical Identifiers
| CAS Number | 120166-69-0 |
|---|---|
| SMILES | C1CN(CCC1=C(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CCN4C(=O)C5=CC=CC=C5NC4=S |
| InChIKey | ZCNBZFRECRPCKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diacylglycerol Kinase Inhibitor Ii (CAS 120166-69-0), with molecular formula C28H25F2N3OS and molecular weight 489.17 g/mol. IUPAC: 3-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one.
Chemical Property Profile of Diacylglycerol Kinase Inhibitor Ii
Property Insights of Diacylglycerol Kinase Inhibitor Ii
The XLogP value of 5.6 indicates that Diacylglycerol Kinase Inhibitor Ii is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diacylglycerol Kinase Inhibitor Ii. Following Lipinski's Rule of Five, Diacylglycerol Kinase Inhibitor Ii has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diacylglycerol Kinase Inhibitor Ii?
The CAS number of Diacylglycerol Kinase Inhibitor Ii is 120166-69-0.
What is the molecular formula of Diacylglycerol Kinase Inhibitor Ii?
The molecular formula of Diacylglycerol Kinase Inhibitor Ii is C28H25F2N3OS.
What is the molecular weight of Diacylglycerol Kinase Inhibitor Ii?
The molecular weight of Diacylglycerol Kinase Inhibitor Ii is 489.17 g/mol.
Where can I buy Diacylglycerol Kinase Inhibitor Ii?
You can request a quote for Diacylglycerol Kinase Inhibitor Ii directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diacylglycerol Kinase Inhibitor Ii?
Yes, KEHONG BIO provides custom synthesis services for Diacylglycerol Kinase Inhibitor Ii and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.