ChemDiv1_018416
TL;DR: ChemDiv1_018416 (CAS 313389-17-2) is a chemical compound with molecular formula C19H15F3N4O4 and molecular weight 420.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone
Also Known As: ChemDiv1_018416, BAS 01515961, [5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone, 5-(1,3-benzodioxol-5-yl)-2-(4-morpholinylcarbonyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine, 5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5-a ]pyrimidin-2-yl) morpholin-4-yl ketone
| Molecular Formula | C19H15F3N4O4 |
|---|---|
| Molecular Weight | 420.10 g/mol |
| LogP | 2.6162 |
| Topological Polar Surface Area | 78.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 420.10455 |
| Heavy Atoms | 30 |
| Complexity | 1138.7454 |
Chemical Identifiers
| CAS Number | 313389-17-2 |
|---|---|
| SMILES | C1COCCN1C(=O)C2=NN3C(=CC(=NC3=C2)C4=CC5=C(C=C4)OCO5)C(F)(F)F |
Product Overview
ChemDiv1_018416 (CAS 313389-17-2), with molecular formula C19H15F3N4O4 and molecular weight 420.10 g/mol. IUPAC: [5-(1,3-benzodioxol-5-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-morpholin-4-ylmethanone.
Chemical Property Profile of ChemDiv1_018416
Property Insights of ChemDiv1_018416
The XLogP value of 2.6162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_018416. The TPSA of 78.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_018416. Following Lipinski's Rule of Five, ChemDiv1_018416 has 0 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 ChemDiv1_018416?
The CAS number of ChemDiv1_018416 is 313389-17-2.
What is the molecular formula of ChemDiv1_018416?
The molecular formula of ChemDiv1_018416 is C19H15F3N4O4.
What is the molecular weight of ChemDiv1_018416?
The molecular weight of ChemDiv1_018416 is 420.10 g/mol.
Where can I buy ChemDiv1_018416?
You can request a quote for ChemDiv1_018416 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_018416?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_018416 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.