AB00684987-01
TL;DR: AB00684987-01 (CAS 852450-44-3) is a chemical compound with molecular formula C19H12F3N5O2 and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
Also Known As: AB00684987-01, F0679-0379, N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide, N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide, N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamide
| Molecular Formula | C19H12F3N5O2 |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 2.6382 |
| Topological Polar Surface Area | 81.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.0943 |
| Heavy Atoms | 29 |
| Complexity | 1281.4895 |
Chemical Identifiers
| CAS Number | 852450-44-3 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=C(C=C(C=C4)F)F)F |
Product Overview
AB00684987-01 (CAS 852450-44-3), with molecular formula C19H12F3N5O2 and molecular weight 399.09 g/mol. IUPAC: N-(2,4-difluorophenyl)-2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide.
Chemical Property Profile of AB00684987-01
Property Insights of AB00684987-01
The XLogP value of 2.6382 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684987-01. The TPSA of 81.81 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684987-01. Following Lipinski's Rule of Five, AB00684987-01 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 AB00684987-01?
The CAS number of AB00684987-01 is 852450-44-3.
What is the molecular formula of AB00684987-01?
The molecular formula of AB00684987-01 is C19H12F3N5O2.
What is the molecular weight of AB00684987-01?
The molecular weight of AB00684987-01 is 399.09 g/mol.
Where can I buy AB00684987-01?
You can request a quote for AB00684987-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684987-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684987-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.