AB00687704-01
TL;DR: AB00687704-01 (CAS 895002-03-6) is a chemical compound with molecular formula C22H20N6O3 and molecular weight 416.1597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzamide
Also Known As: AB00687704-01, F2514-0505, 4-[[2-[1-(2,4-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide, 4-(2-(1-(2,4-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzamide, 4-{2-[1-(2,4-dimethylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamido}benzamide
Technical Specifications
| Molecular Formula | C22H20N6O3 |
| Molecular Weight | 416.1597 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 123.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1597 Da |
| Heavy Atoms | 31 |
| Complexity | 735.0 |
| SMILES | CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)N)C |
| InChIKey | OHGPHWPSQMHZIJ-UHFFFAOYSA-N |
Chemical Property Profile of AB00687704-01
Property Insights of AB00687704-01
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687704-01. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687704-01. Following Lipinski's Rule of Five, AB00687704-01 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of AB00687704-01?
The CAS number of AB00687704-01 is 895002-03-6.
What is the molecular formula of AB00687704-01?
The molecular formula of AB00687704-01 is C22H20N6O3.
What is the molecular weight of AB00687704-01?
The molecular weight of AB00687704-01 is 416.1597 g/mol.
Where can I buy AB00687704-01?
You can request a quote for AB00687704-01 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AB00687704-01?
Yes, CoreyChem provides custom synthesis services for AB00687704-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.