BIM-0044572.P001
TL;DR: BIM-0044572.P001 (CAS 351438-85-2) is a chemical compound with molecular formula C23H21F3N4O3 and molecular weight 458.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
Also Known As: BIM-0044572.P001, ethyl2-({[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate, ethyl 2-(5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamido)benzoate, ethyl 2-[[5-phenyl-7-(trifluoromethyl)-1,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate, ethyl 2-[[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate
| Molecular Formula | C23H21F3N4O3 |
|---|---|
| Molecular Weight | 458.16 g/mol |
| LogP | 4.9724 |
| Topological Polar Surface Area | 85.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 458.1566 |
| Heavy Atoms | 33 |
| Complexity | 1161.2583 |
Chemical Identifiers
| CAS Number | 351438-85-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1NC(=O)C2=C3NC(CC(N3N=C2)C(F)(F)F)C4=CC=CC=C4 |
Product Overview
BIM-0044572.P001 (CAS 351438-85-2), with molecular formula C23H21F3N4O3 and molecular weight 458.16 g/mol. IUPAC: ethyl 2-[[5-phenyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carbonyl]amino]benzoate.
Chemical Property Profile of BIM-0044572.P001
Property Insights of BIM-0044572.P001
The XLogP value of 4.9724 indicates that BIM-0044572.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.25 Ų falls within the moderate polarity range, balancing permeability and solubility for BIM-0044572.P001. Following Lipinski's Rule of Five, BIM-0044572.P001 has 2 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 BIM-0044572.P001?
The CAS number of BIM-0044572.P001 is 351438-85-2.
What is the molecular formula of BIM-0044572.P001?
The molecular formula of BIM-0044572.P001 is C23H21F3N4O3.
What is the molecular weight of BIM-0044572.P001?
The molecular weight of BIM-0044572.P001 is 458.16 g/mol.
Where can I buy BIM-0044572.P001?
You can request a quote for BIM-0044572.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0044572.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0044572.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.