AB00676626-01
TL;DR: AB00676626-01 (CAS 872591-01-0) 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-(1,3-benzodioxol-5-yl)-2-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide
Also Known As: AB00676626-01, F1876-0591, N-(2H-1,3-benzodioxol-5-yl)-2-[3-(3-methylphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide, N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide, N-(benzo[d][1,3]dioxol-5-yl)-2-(7-oxo-3-(m-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-6(7H)-yl)acetamide
| Molecular Formula | C20H16N6O4 |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 1.65302 |
| 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 | 1342.882 |
Chemical Identifiers
| CAS Number | 872591-01-0 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C3=C(C(=O)N(C=N3)CC(=O)NC4=CC5=C(C=C4)OCO5)N=N2 |
Product Overview
AB00676626-01 (CAS 872591-01-0), with molecular formula C20H16N6O4 and molecular weight 404.12 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-2-[3-(3-methylphenyl)-7-oxotriazolo[4,5-d]pyrimidin-6-yl]acetamide.
Chemical Property Profile of AB00676626-01
Property Insights of AB00676626-01
The XLogP value of 1.65302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00676626-01. The TPSA of 113.16 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00676626-01. Following Lipinski's Rule of Five, AB00676626-01 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 AB00676626-01?
The CAS number of AB00676626-01 is 872591-01-0.
What is the molecular formula of AB00676626-01?
The molecular formula of AB00676626-01 is C20H16N6O4.
What is the molecular weight of AB00676626-01?
The molecular weight of AB00676626-01 is 404.12 g/mol.
Where can I buy AB00676626-01?
You can request a quote for AB00676626-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00676626-01?
Yes, KEHONG BIO provides custom synthesis services for AB00676626-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.