AB00679819-01
TL;DR: AB00679819-01 (CAS 898409-14-8) is a chemical compound with molecular formula C20H16ClN3O5 and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
Also Known As: AB00679819-01, F2580-0864, 2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide, 2-(4-(benzo[d][1,3]dioxol-5-yl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)-N-(2-chlorobenzyl)acetamide, 2-[4-(2H-1,3-benzodioxol-5-yl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide
| Molecular Formula | C20H16ClN3O5 |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 1.6977 |
| Topological Polar Surface Area | 91.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.07785 |
| Heavy Atoms | 29 |
| Complexity | 1201.2064 |
Chemical Identifiers
| CAS Number | 898409-14-8 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N3C=CN(C(=O)C3=O)CC(=O)NCC4=CC=CC=C4Cl |
Product Overview
AB00679819-01 (CAS 898409-14-8), with molecular formula C20H16ClN3O5 and molecular weight 413.08 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-yl)-2,3-dioxopyrazin-1-yl]-N-[(2-chlorophenyl)methyl]acetamide.
Chemical Property Profile of AB00679819-01
Property Insights of AB00679819-01
The XLogP value of 1.6977 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679819-01. The TPSA of 91.56 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679819-01. Following Lipinski's Rule of Five, AB00679819-01 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 AB00679819-01?
The CAS number of AB00679819-01 is 898409-14-8.
What is the molecular formula of AB00679819-01?
The molecular formula of AB00679819-01 is C20H16ClN3O5.
What is the molecular weight of AB00679819-01?
The molecular weight of AB00679819-01 is 413.08 g/mol.
Where can I buy AB00679819-01?
You can request a quote for AB00679819-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679819-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679819-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.