AB00684972-01
TL;DR: AB00684972-01 (CAS 722489-75-0) is a chemical compound with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide
Also Known As: AB00684972-01, F0679-0048, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-oxo-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-5-yl}acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(4-oxo-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
| Molecular Formula | C21H17N5O4 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 1.9921 |
| Topological Polar Surface Area | 100.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.12805 |
| Heavy Atoms | 30 |
| Complexity | 1295.9983 |
Chemical Identifiers
| CAS Number | 722489-75-0 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)C=NN4C5=CC=CC=C5 |
Product Overview
AB00684972-01 (CAS 722489-75-0), with molecular formula C21H17N5O4 and molecular weight 403.13 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)acetamide.
Chemical Property Profile of AB00684972-01
Property Insights of AB00684972-01
The XLogP value of 1.9921 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684972-01. The TPSA of 100.27 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684972-01. Following Lipinski's Rule of Five, AB00684972-01 has 1 hydrogen bond donor(s) and 6 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 AB00684972-01?
The CAS number of AB00684972-01 is 722489-75-0.
What is the molecular formula of AB00684972-01?
The molecular formula of AB00684972-01 is C21H17N5O4.
What is the molecular weight of AB00684972-01?
The molecular weight of AB00684972-01 is 403.13 g/mol.
Where can I buy AB00684972-01?
You can request a quote for AB00684972-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684972-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684972-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.