ChemDiv1_003017
TL;DR: ChemDiv1_003017 (CAS 313389-20-7) is a chemical compound with molecular formula C21H20F3N5O4 and molecular weight 463.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_003017, BAS 01515971, 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide, [5-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)-7-(trifluoromethyl)(8-hydropyrazolo[1,5- a]pyrimidin-2-yl)]-N-(2-morpholin-4-ylethyl)carboxamide, 5-(1,3-benzodioxol-5-yl)-N-[2-(4-morpholinyl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C21H20F3N5O4 |
|---|---|
| Molecular Weight | 463.15 g/mol |
| LogP | 2.2058 |
| Topological Polar Surface Area | 90.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 463.14673 |
| Heavy Atoms | 33 |
| Complexity | 1190.5923 |
Chemical Identifiers
| CAS Number | 313389-20-7 |
|---|---|
| SMILES | C1COCCN1CCNC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC5=C(C=C4)OCO5)C(F)(F)F |
Product Overview
ChemDiv1_003017 (CAS 313389-20-7), with molecular formula C21H20F3N5O4 and molecular weight 463.15 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yl)-N-(2-morpholin-4-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_003017
Property Insights of ChemDiv1_003017
The XLogP value of 2.2058 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_003017. The TPSA of 90.22 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003017. Following Lipinski's Rule of Five, ChemDiv1_003017 has 1 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 ChemDiv1_003017?
The CAS number of ChemDiv1_003017 is 313389-20-7.
What is the molecular formula of ChemDiv1_003017?
The molecular formula of ChemDiv1_003017 is C21H20F3N5O4.
What is the molecular weight of ChemDiv1_003017?
The molecular weight of ChemDiv1_003017 is 463.15 g/mol.
Where can I buy ChemDiv1_003017?
You can request a quote for ChemDiv1_003017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003017?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.