AB00679817-01
TL;DR: AB00679817-01 (CAS 898463-53-1) is a chemical compound with molecular formula C19H14ClF2N3O3 and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide
Also Known As: AB00679817-01, F2580-0862, N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide, N-(2-chlorobenzyl)-2-(4-(3,4-difluorophenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)acetamide, N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]acetamide
| Molecular Formula | C19H14ClF2N3O3 |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 2.2472 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.06918 |
| Heavy Atoms | 28 |
| Complexity | 1157.6461 |
Chemical Identifiers
| CAS Number | 898463-53-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNC(=O)CN2C=CN(C(=O)C2=O)C3=CC(=C(C=C3)F)F)Cl |
Product Overview
AB00679817-01 (CAS 898463-53-1), with molecular formula C19H14ClF2N3O3 and molecular weight 405.07 g/mol. IUPAC: N-[(2-chlorophenyl)methyl]-2-[4-(3,4-difluorophenyl)-2,3-dioxopyrazin-1-yl]acetamide.
Chemical Property Profile of AB00679817-01
Property Insights of AB00679817-01
The XLogP value of 2.2472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00679817-01. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00679817-01. Following Lipinski's Rule of Five, AB00679817-01 has 1 hydrogen bond donor(s) and 3 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 AB00679817-01?
The CAS number of AB00679817-01 is 898463-53-1.
What is the molecular formula of AB00679817-01?
The molecular formula of AB00679817-01 is C19H14ClF2N3O3.
What is the molecular weight of AB00679817-01?
The molecular weight of AB00679817-01 is 405.07 g/mol.
Where can I buy AB00679817-01?
You can request a quote for AB00679817-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00679817-01?
Yes, KEHONG BIO provides custom synthesis services for AB00679817-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.