F0679-0631
TL;DR: F0679-0631 (CAS 863448-00-4) is a chemical compound with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
Also Known As: F0679-0631, methyl 4-(2-{1-tert-butyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamido)benzoate, methyl 4-(2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzoate, methyl 4-[[2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)acetyl]amino]benzoate
| Molecular Formula | C19H21N5O4 |
|---|---|
| Molecular Weight | 383.16 g/mol |
| LogP | 1.7733 |
| Topological Polar Surface Area | 108.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.15936 |
| Heavy Atoms | 28 |
| Complexity | 1090.1948 |
Chemical Identifiers
| CAS Number | 863448-00-4 |
|---|---|
| SMILES | CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
F0679-0631 (CAS 863448-00-4), with molecular formula C19H21N5O4 and molecular weight 383.16 g/mol. IUPAC: methyl 4-[[2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)acetyl]amino]benzoate.
Chemical Property Profile of F0679-0631
Property Insights of F0679-0631
The XLogP value of 1.7733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0679-0631. The TPSA of 108.11 Ų falls within the moderate polarity range, balancing permeability and solubility for F0679-0631. Following Lipinski's Rule of Five, F0679-0631 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 F0679-0631?
The CAS number of F0679-0631 is 863448-00-4.
What is the molecular formula of F0679-0631?
The molecular formula of F0679-0631 is C19H21N5O4.
What is the molecular weight of F0679-0631?
The molecular weight of F0679-0631 is 383.16 g/mol.
Where can I buy F0679-0631?
You can request a quote for F0679-0631 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0679-0631?
Yes, KEHONG BIO provides custom synthesis services for F0679-0631 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.