F0679-0171
TL;DR: F0679-0171 (CAS 863446-74-6) is a chemical compound with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
Also Known As: F0679-0171, methyl 4-{2-[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamido}benzoate, methyl 4-(2-(4-oxo-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate, methyl 4-[[2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzoate
| Molecular Formula | C22H19N5O4 |
|---|---|
| Molecular Weight | 417.14 g/mol |
| LogP | 2.31592 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.1437 |
| Heavy Atoms | 31 |
| Complexity | 1321.0277 |
Chemical Identifiers
| CAS Number | 863446-74-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
F0679-0171 (CAS 863446-74-6), with molecular formula C22H19N5O4 and molecular weight 417.14 g/mol. IUPAC: methyl 4-[[2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzoate.
Chemical Property Profile of F0679-0171
Property Insights of F0679-0171
The XLogP value of 2.31592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0679-0171. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0679-0171. Following Lipinski's Rule of Five, F0679-0171 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 F0679-0171?
The CAS number of F0679-0171 is 863446-74-6.
What is the molecular formula of F0679-0171?
The molecular formula of F0679-0171 is C22H19N5O4.
What is the molecular weight of F0679-0171?
The molecular weight of F0679-0171 is 417.14 g/mol.
Where can I buy F0679-0171?
You can request a quote for F0679-0171 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0679-0171?
Yes, KEHONG BIO provides custom synthesis services for F0679-0171 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.