ChemDiv1_002893
TL;DR: ChemDiv1_002893 (CAS 313396-79-1) is a chemical compound with molecular formula C19H18ClF3N4O4 and molecular weight 458.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
Also Known As: ChemDiv1_002893, BAS 01059015, BIM-0034555.P001, 3-chloro-5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
| Molecular Formula | C19H18ClF3N4O4 |
|---|---|
| Molecular Weight | 458.10 g/mol |
| LogP | 3.4619 |
| Topological Polar Surface Area | 86.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.09686 |
| Heavy Atoms | 31 |
| Complexity | 1117.7064 |
Chemical Identifiers
| CAS Number | 313396-79-1 |
|---|---|
| SMILES | COCCNC(=O)C1=NN2C(=CC(=NC2=C1Cl)C3=CC(=C(C=C3)OC)OC)C(F)(F)F |
Product Overview
ChemDiv1_002893 (CAS 313396-79-1), with molecular formula C19H18ClF3N4O4 and molecular weight 458.10 g/mol. IUPAC: 3-chloro-5-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
Chemical Property Profile of ChemDiv1_002893
Property Insights of ChemDiv1_002893
The XLogP value of 3.4619 indicates that ChemDiv1_002893 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.98 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002893. Following Lipinski's Rule of Five, ChemDiv1_002893 has 1 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_002893?
The CAS number of ChemDiv1_002893 is 313396-79-1.
What is the molecular formula of ChemDiv1_002893?
The molecular formula of ChemDiv1_002893 is C19H18ClF3N4O4.
What is the molecular weight of ChemDiv1_002893?
The molecular weight of ChemDiv1_002893 is 458.10 g/mol.
Where can I buy ChemDiv1_002893?
You can request a quote for ChemDiv1_002893 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002893?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002893 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.