AB00682994-01
TL;DR: AB00682994-01 (CAS 899987-94-1) is a chemical compound with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[6-(2-ethoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide
Also Known As: AB00682994-01, F3124-0544, 2-[6-(2-ethoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide, 2-(8-(2-ethoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1H-imidazo[2,1-f]purin-3(2H,4H,8H)-yl)acetamide, 2-[8-(2-ethoxyphenyl)-1,6,7-trimethyl-2,4-dioxo-1,3,5-trihydro-4-imidazolino[1 ,2-h]purin-3-yl]acetamide
| Molecular Formula | C20H22N6O4 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 0.63944 |
| Topological Polar Surface Area | 118.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.17026 |
| Heavy Atoms | 30 |
| Complexity | 1436.0259 |
Chemical Identifiers
| CAS Number | 899987-94-1 |
|---|---|
| SMILES | CCOC1=CC=CC=C1N2C(=C(N3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)N)C)C |
Product Overview
AB00682994-01 (CAS 899987-94-1), with molecular formula C20H22N6O4 and molecular weight 410.17 g/mol. IUPAC: 2-[6-(2-ethoxyphenyl)-4,7,8-trimethyl-1,3-dioxopurino[7,8-a]imidazol-2-yl]acetamide.
Chemical Property Profile of AB00682994-01
Property Insights of AB00682994-01
The XLogP value of 0.63944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00682994-01. The TPSA of 118.55 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00682994-01. Following Lipinski's Rule of Five, AB00682994-01 has 1 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 AB00682994-01?
The CAS number of AB00682994-01 is 899987-94-1.
What is the molecular formula of AB00682994-01?
The molecular formula of AB00682994-01 is C20H22N6O4.
What is the molecular weight of AB00682994-01?
The molecular weight of AB00682994-01 is 410.17 g/mol.
Where can I buy AB00682994-01?
You can request a quote for AB00682994-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00682994-01?
Yes, KEHONG BIO provides custom synthesis services for AB00682994-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.