DPC 963
TL;DR: DPC 963 (CAS 21498-52-2) is a chemical compound with molecular formula C14H9F5N2O and molecular weight 316.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one
Also Known As: DPC 963, Trifluromethylquinazolinone deriv. 13, 4-(cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-3,4-dihydroquinazolin-2(1h)-one, 4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one, 2(1H)-Quinazolinone, 4-(cyclopropylethynyl)-5,6-difluoro-3,4-dihydro-4-(trifluoromethyl)-
| Molecular Formula | C14H9F5N2O |
|---|---|
| Molecular Weight | 316.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.0635 |
| Heavy Atoms | 22 |
| Complexity | 546.0 |
Chemical Identifiers
| CAS Number | 21498-52-2 |
|---|---|
| SMILES | C1CC1C#CC2(C3=C(C=CC(=C3F)F)NC(=O)N2)C(F)(F)F |
| InChIKey | QCNJQJJFXFJVCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DPC 963 (CAS 21498-52-2), with molecular formula C14H9F5N2O and molecular weight 316.06 g/mol. IUPAC: 4-(2-cyclopropylethynyl)-5,6-difluoro-4-(trifluoromethyl)-1,3-dihydroquinazolin-2-one.
Chemical Property Profile of DPC 963
Property Insights of DPC 963
The XLogP value of 3.0 indicates that DPC 963 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.1 Ų, DPC 963 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, DPC 963 has 2 hydrogen bond donor(s) and 6 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 DPC 963?
The CAS number of DPC 963 is 21498-52-2.
What is the molecular formula of DPC 963?
The molecular formula of DPC 963 is C14H9F5N2O.
What is the molecular weight of DPC 963?
The molecular weight of DPC 963 is 316.06 g/mol.
Where can I buy DPC 963?
You can request a quote for DPC 963 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DPC 963?
Yes, KEHONG BIO provides custom synthesis services for DPC 963 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.