AP-853/41820791
TL;DR: AP-853/41820791 (CAS 694446-97-4) is a chemical compound with molecular formula C18H14F3N3O2 and molecular weight 361.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
Also Known As: AP-853/41820791, 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-methyl-4-oxo-phthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide, 2-(3-methyl-4-oxo-3,4-dihydro-1-phthalazinyl)-N-[3-(trifluoromethyl)phenyl]acetamide
| Molecular Formula | C18H14F3N3O2 |
|---|---|
| Molecular Weight | 361.10 g/mol |
| LogP | 3.1335 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 361.10382 |
| Heavy Atoms | 26 |
| Complexity | 1041.7661 |
Chemical Identifiers
| CAS Number | 694446-97-4 |
|---|---|
| SMILES | CN1C(=O)C2=CC=CC=C2C(=N1)CC(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
AP-853/41820791 (CAS 694446-97-4), with molecular formula C18H14F3N3O2 and molecular weight 361.10 g/mol. IUPAC: 2-(3-methyl-4-oxophthalazin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide.
Chemical Property Profile of AP-853/41820791
Property Insights of AP-853/41820791
The XLogP value of 3.1335 indicates that AP-853/41820791 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for AP-853/41820791. Following Lipinski's Rule of Five, AP-853/41820791 has 1 hydrogen bond donor(s) and 3 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 AP-853/41820791?
The CAS number of AP-853/41820791 is 694446-97-4.
What is the molecular formula of AP-853/41820791?
The molecular formula of AP-853/41820791 is C18H14F3N3O2.
What is the molecular weight of AP-853/41820791?
The molecular weight of AP-853/41820791 is 361.10 g/mol.
Where can I buy AP-853/41820791?
You can request a quote for AP-853/41820791 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AP-853/41820791?
Yes, KEHONG BIO provides custom synthesis services for AP-853/41820791 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.