A3871/0164485
TL;DR: A3871/0164485 (CAS 728031-36-5) is a chemical compound with molecular formula C20H14F3N5O3 and molecular weight 429.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
Also Known As: A3871/0164485, F0679-0052, 2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}-N-[4-(trifluoromethoxy)phenyl]acetamide, 2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(4-(trifluoromethoxy)phenyl)acetamide, 2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
| Molecular Formula | C20H14F3N5O3 |
|---|---|
| Molecular Weight | 429.10 g/mol |
| LogP | 3.1195 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.1049 |
| Heavy Atoms | 31 |
| Complexity | 1281.6571 |
Chemical Identifiers
| CAS Number | 728031-36-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)OC(F)(F)F |
Product Overview
A3871/0164485 (CAS 728031-36-5), with molecular formula C20H14F3N5O3 and molecular weight 429.10 g/mol. IUPAC: 2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
Chemical Property Profile of A3871/0164485
Property Insights of A3871/0164485
The XLogP value of 3.1195 indicates that A3871/0164485 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.04 Ų falls within the moderate polarity range, balancing permeability and solubility for A3871/0164485. Following Lipinski's Rule of Five, A3871/0164485 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 A3871/0164485?
The CAS number of A3871/0164485 is 728031-36-5.
What is the molecular formula of A3871/0164485?
The molecular formula of A3871/0164485 is C20H14F3N5O3.
What is the molecular weight of A3871/0164485?
The molecular weight of A3871/0164485 is 429.10 g/mol.
Where can I buy A3871/0164485?
You can request a quote for A3871/0164485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3871/0164485?
Yes, KEHONG BIO provides custom synthesis services for A3871/0164485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.