AB00679839-01
TL;DR: AB00679839-01 (CAS 898429-10-2) is a chemical compound with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methoxyphenyl)-2-[4-(2,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide
Also Known As: AB00679839-01, F2580-1674, N-(3-chloro-4-methoxyphenyl)-2-[4-(2,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide, N-(3-chloro-4-methoxyphenyl)-2-(4-(2,5-dimethylphenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)acetamide, N-(3-chloro-4-methoxyphenyl)-2-[4-(2,5-dimethylphenyl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]acetamide
| Molecular Formula | C21H20ClN3O4 |
|---|---|
| Molecular Weight | 413.11 g/mol |
| LogP | 2.91674 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.11423 |
| Heavy Atoms | 29 |
| Complexity | 1197.2611 |
Chemical Identifiers
| CAS Number | 898429-10-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)N2C=CN(C(=O)C2=O)CC(=O)NC3=CC(=C(C=C3)OC)Cl |
Product Overview
AB00679839-01 (CAS 898429-10-2), with molecular formula C21H20ClN3O4 and molecular weight 413.11 g/mol. IUPAC: N-(3-chloro-4-methoxyphenyl)-2-[4-(2,5-dimethylphenyl)-2,3-dioxopyrazin-1-yl]acetamide.
Chemical Property Profile of AB00679839-01
Property Insights of AB00679839-01
The XLogP value of 2.91674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679839-01. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679839-01. Following Lipinski's Rule of Five, AB00679839-01 has 1 hydrogen bond donor(s) and 4 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 AB00679839-01?
The CAS number of AB00679839-01 is 898429-10-2.
What is the molecular formula of AB00679839-01?
The molecular formula of AB00679839-01 is C21H20ClN3O4.
What is the molecular weight of AB00679839-01?
The molecular weight of AB00679839-01 is 413.11 g/mol.
Where can I buy AB00679839-01?
You can request a quote for AB00679839-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679839-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679839-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.