VU0403771-1
TL;DR: VU0403771-1 (CAS 835889-40-2) is a chemical compound with molecular formula C17H14F3N3O3 and molecular weight 365.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
Also Known As: VU0403771-1, ethyl 2-(7-oxo-3-phenyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl)acetate, ethyl [7-hydroxy-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]acetate, ethyl [7-oxo-3-phenyl-2-(trifluoromethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidin-5-yl]acetate, ethyl 2-[7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate
| Molecular Formula | C17H14F3N3O3 |
|---|---|
| Molecular Weight | 365.10 g/mol |
| LogP | 2.814 |
| Topological Polar Surface Area | 76.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.09872 |
| Heavy Atoms | 26 |
| Complexity | 1006.9955 |
Chemical Identifiers
| CAS Number | 835889-40-2 |
|---|---|
| SMILES | CCOC(=O)CC1=CC(=O)N2C(=N1)C(=C(N2)C(F)(F)F)C3=CC=CC=C3 |
Product Overview
VU0403771-1 (CAS 835889-40-2), with molecular formula C17H14F3N3O3 and molecular weight 365.10 g/mol. IUPAC: ethyl 2-[7-oxo-3-phenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-5-yl]acetate.
Chemical Property Profile of VU0403771-1
Property Insights of VU0403771-1
The XLogP value of 2.814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for VU0403771-1. The TPSA of 76.46 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0403771-1. Following Lipinski's Rule of Five, VU0403771-1 has 1 hydrogen bond donor(s) and 4 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 VU0403771-1?
The CAS number of VU0403771-1 is 835889-40-2.
What is the molecular formula of VU0403771-1?
The molecular formula of VU0403771-1 is C17H14F3N3O3.
What is the molecular weight of VU0403771-1?
The molecular weight of VU0403771-1 is 365.10 g/mol.
Where can I buy VU0403771-1?
You can request a quote for VU0403771-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0403771-1?
Yes, KEHONG BIO provides custom synthesis services for VU0403771-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.