AB00687700-01
TL;DR: AB00687700-01 (CAS 894993-73-8) is a chemical compound with molecular formula C22H20N6O3 and molecular weight 416.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzamide
Also Known As: AB00687700-01, F2514-0364, 4-{2-[1-(2,3-dimethylphenyl)-4-oxo-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl]acetamido}benzamide, 4-[[2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]benzamide, 4-(2-(1-(2,3-dimethylphenyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamido)benzamide
| Molecular Formula | C22H20N6O3 |
|---|---|
| Molecular Weight | 416.16 g/mol |
| LogP | 1.93664 |
| Topological Polar Surface Area | 124.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.1597 |
| Heavy Atoms | 31 |
| Complexity | 1368.5228 |
Chemical Identifiers
| CAS Number | 894993-73-8 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)NC4=CC=C(C=C4)C(=O)N)C |
Product Overview
AB00687700-01 (CAS 894993-73-8), with molecular formula C22H20N6O3 and molecular weight 416.16 g/mol. IUPAC: 4-[[2-[1-(2,3-dimethylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetyl]amino]benzamide.
Chemical Property Profile of AB00687700-01
Property Insights of AB00687700-01
The XLogP value of 1.93664 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00687700-01. The TPSA of 124.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00687700-01. Following Lipinski's Rule of Five, AB00687700-01 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
Frequently Asked Questions
What is the CAS number of AB00687700-01?
The CAS number of AB00687700-01 is 894993-73-8.
What is the molecular formula of AB00687700-01?
The molecular formula of AB00687700-01 is C22H20N6O3.
What is the molecular weight of AB00687700-01?
The molecular weight of AB00687700-01 is 416.16 g/mol.
Where can I buy AB00687700-01?
You can request a quote for AB00687700-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00687700-01?
Yes, KEHONG BIO provides custom synthesis services for AB00687700-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.