AB00684869-01
TL;DR: AB00684869-01 (CAS 863018-63-7) is a chemical compound with molecular formula C20H16N6O4 and molecular weight 404.12 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-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
Also Known As: AB00684869-01, F0656-0569, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{7-oxo-3-phenyl-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide, N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-(7-oxo-3-phenyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide, N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
| Molecular Formula | C20H16N6O4 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 1.3871 |
| Topological Polar Surface Area | 113.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.1233 |
| Heavy Atoms | 30 |
| Complexity | 1297.8982 |
Chemical Identifiers
| CAS Number | 863018-63-7 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)N=NN4C5=CC=CC=C5 |
Product Overview
AB00684869-01 (CAS 863018-63-7), with molecular formula C20H16N6O4 and molecular weight 404.12 g/mol. IUPAC: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide.
Chemical Property Profile of AB00684869-01
Property Insights of AB00684869-01
The XLogP value of 1.3871 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00684869-01. The TPSA of 113.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00684869-01. Following Lipinski's Rule of Five, AB00684869-01 has 1 hydrogen bond donor(s) and 7 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 AB00684869-01?
The CAS number of AB00684869-01 is 863018-63-7.
What is the molecular formula of AB00684869-01?
The molecular formula of AB00684869-01 is C20H16N6O4.
What is the molecular weight of AB00684869-01?
The molecular weight of AB00684869-01 is 404.12 g/mol.
Where can I buy AB00684869-01?
You can request a quote for AB00684869-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00684869-01?
Yes, KEHONG BIO provides custom synthesis services for AB00684869-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.