ChemDiv1_001277
TL;DR: ChemDiv1_001277 (CAS 5672-09-3) is a chemical compound with molecular formula C22H15F3N4O3 and molecular weight 440.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate
Also Known As: ChemDiv1_001277, methyl 2-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate, methyl 2-({[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate, Methyl 2-[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamido]benzoate
| Molecular Formula | C22H15F3N4O3 |
|---|---|
| Molecular Weight | 440.11 g/mol |
| LogP | 4.454 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.10962 |
| Heavy Atoms | 32 |
| Complexity | 1317.2528 |
Chemical Identifiers
| CAS Number | 5672-09-3 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)C2=NN3C(=CC(=NC3=C2)C4=CC=CC=C4)C(F)(F)F |
Product Overview
ChemDiv1_001277 (CAS 5672-09-3), with molecular formula C22H15F3N4O3 and molecular weight 440.11 g/mol. IUPAC: methyl 2-[[5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzoate.
Chemical Property Profile of ChemDiv1_001277
Property Insights of ChemDiv1_001277
The XLogP value of 4.454 indicates that ChemDiv1_001277 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_001277. Following Lipinski's Rule of Five, ChemDiv1_001277 has 1 hydrogen bond donor(s) and 5 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_001277?
The CAS number of ChemDiv1_001277 is 5672-09-3.
What is the molecular formula of ChemDiv1_001277?
The molecular formula of ChemDiv1_001277 is C22H15F3N4O3.
What is the molecular weight of ChemDiv1_001277?
The molecular weight of ChemDiv1_001277 is 440.11 g/mol.
Where can I buy ChemDiv1_001277?
You can request a quote for ChemDiv1_001277 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_001277?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_001277 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.