AB00411499-05
TL;DR: AB00411499-05 (CAS 852450-75-0) is a chemical compound with molecular formula C18H18FN5O3 and molecular weight 371.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
Also Known As: AB00411499-05, F0679-0413, 2-(1-(4-fluorophenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)-N-((tetrahydrofuran-2-yl)methyl)acetamide, 2-[1-(4-fluorophenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]-N-[(oxolan-2-yl)methyl]acetamide, 2-[1-(4-fluorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
| Molecular Formula | C18H18FN5O3 |
|---|---|
| Molecular Weight | 371.14 g/mol |
| LogP | 1.0165 |
| Topological Polar Surface Area | 91.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 371.13937 |
| Heavy Atoms | 27 |
| Complexity | 1021.6483 |
Chemical Identifiers
| CAS Number | 852450-75-0 |
|---|---|
| SMILES | C1CC(OC1)CNC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=C(C=C4)F |
Product Overview
AB00411499-05 (CAS 852450-75-0), with molecular formula C18H18FN5O3 and molecular weight 371.14 g/mol. IUPAC: 2-[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(oxolan-2-ylmethyl)acetamide.
Chemical Property Profile of AB00411499-05
Property Insights of AB00411499-05
The XLogP value of 1.0165 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00411499-05. The TPSA of 91.04 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00411499-05. Following Lipinski's Rule of Five, AB00411499-05 has 1 hydrogen bond donor(s) and 5 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 AB00411499-05?
The CAS number of AB00411499-05 is 852450-75-0.
What is the molecular formula of AB00411499-05?
The molecular formula of AB00411499-05 is C18H18FN5O3.
What is the molecular weight of AB00411499-05?
The molecular weight of AB00411499-05 is 371.14 g/mol.
Where can I buy AB00411499-05?
You can request a quote for AB00411499-05 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00411499-05?
Yes, KEHONG BIO provides custom synthesis services for AB00411499-05 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.