F0679-0181
TL;DR: F0679-0181 (CAS 863446-82-6) is a chemical compound with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
Also Known As: F0679-0181, N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide, N-(2-chlorobenzyl)-2-(4-oxo-1-(p-tolyl)-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide, N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
| Molecular Formula | C21H18ClN5O2 |
|---|---|
| Molecular Weight | 407.11 g/mol |
| LogP | 2.86042 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.1149 |
| Heavy Atoms | 29 |
| Complexity | 1244.154 |
Chemical Identifiers
| CAS Number | 863446-82-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NCC4=CC=CC=C4Cl |
Product Overview
F0679-0181 (CAS 863446-82-6), with molecular formula C21H18ClN5O2 and molecular weight 407.11 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of F0679-0181
Property Insights of F0679-0181
The XLogP value of 2.86042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0679-0181. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for F0679-0181. Following Lipinski's Rule of Five, F0679-0181 has 1 hydrogen bond donor(s) and 4 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 F0679-0181?
The CAS number of F0679-0181 is 863446-82-6.
What is the molecular formula of F0679-0181?
The molecular formula of F0679-0181 is C21H18ClN5O2.
What is the molecular weight of F0679-0181?
The molecular weight of F0679-0181 is 407.11 g/mol.
Where can I buy F0679-0181?
You can request a quote for F0679-0181 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0679-0181?
Yes, KEHONG BIO provides custom synthesis services for F0679-0181 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.