F0679-0057
TL;DR: F0679-0057 (CAS 750620-91-8) is a chemical compound with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
Also Known As: F0679-0057, methyl 4-(2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate, methyl 4-(2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate, methyl 4-[[2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
| Molecular Formula | C21H17N5O4 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 2.0075 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.12805 |
| Heavy Atoms | 30 |
| Complexity | 1276.5032 |
Chemical Identifiers
| CAS Number | 750620-91-8 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4 |
Product Overview
F0679-0057 (CAS 750620-91-8), with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol. IUPAC: methyl 4-[[2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of F0679-0057
Property Insights of F0679-0057
The XLogP value of 2.0075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0679-0057. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0679-0057. Following Lipinski's Rule of Five, F0679-0057 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 F0679-0057?
The CAS number of F0679-0057 is 750620-91-8.
What is the molecular formula of F0679-0057?
The molecular formula of F0679-0057 is C21H17N5O4.
What is the molecular weight of F0679-0057?
The molecular weight of F0679-0057 is 403.13 g/mol.
Where can I buy F0679-0057?
You can request a quote for F0679-0057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0679-0057?
Yes, KEHONG BIO provides custom synthesis services for F0679-0057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.