F0679-0645
TL;DR: F0679-0645 (CAS 863448-12-8) is a chemical compound with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
Also Known As: F0679-0645, 2-{1-tert-butyl-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-(1-tert-butyl-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide, 2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-(3,4-dimethoxyphenethyl)acetamide
| Molecular Formula | C21H27N5O4 |
|---|---|
| Molecular Weight | 413.21 g/mol |
| LogP | 1.7241 |
| Topological Polar Surface Area | 100.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.2063 |
| Heavy Atoms | 30 |
| Complexity | 1110.7627 |
Chemical Identifiers
| CAS Number | 863448-12-8 |
|---|---|
| SMILES | CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)NCCC3=CC(=C(C=C3)OC)OC |
Product Overview
F0679-0645 (CAS 863448-12-8), with molecular formula C21H27N5O4 and molecular weight 413.21 g/mol. IUPAC: 2-(1-tert-butyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
Chemical Property Profile of F0679-0645
Property Insights of F0679-0645
The XLogP value of 1.7241 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0679-0645. The TPSA of 100.27 Ų falls within the moderate polarity range, balancing permeability and solubility for F0679-0645. Following Lipinski's Rule of Five, F0679-0645 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 F0679-0645?
The CAS number of F0679-0645 is 863448-12-8.
What is the molecular formula of F0679-0645?
The molecular formula of F0679-0645 is C21H27N5O4.
What is the molecular weight of F0679-0645?
The molecular weight of F0679-0645 is 413.21 g/mol.
Where can I buy F0679-0645?
You can request a quote for F0679-0645 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0679-0645?
Yes, KEHONG BIO provides custom synthesis services for F0679-0645 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.