F2580-0680
TL;DR: F2580-0680 (CAS 898419-48-2) is a chemical compound with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile
Also Known As: F2580-0680, 2-(4-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dioxo-3,4-dihydropyrazin-1(2H)-yl)acetonitrile, 2-[4-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile, 2-[4-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dioxo-1,2,3,4-tetrahydropyrazin-1-yl]acetonitrile, [4-(4-chloro-2-methoxy-5-tolyl)-2,3-dioxo-1,2,3,4-tetrahydro-1-pyrazinyl]acetonitrile
| Molecular Formula | C14H12ClN3O3 |
|---|---|
| Molecular Weight | 305.06 g/mol |
| LogP | 1.4932 |
| Topological Polar Surface Area | 77.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.05673 |
| Heavy Atoms | 21 |
| Complexity | 846.00854 |
Chemical Identifiers
| CAS Number | 898419-48-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)N2C=CN(C(=O)C2=O)CC#N |
Product Overview
F2580-0680 (CAS 898419-48-2), with molecular formula C14H12ClN3O3 and molecular weight 305.06 g/mol. IUPAC: 2-[4-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dioxopyrazin-1-yl]acetonitrile.
Chemical Property Profile of F2580-0680
Property Insights of F2580-0680
The XLogP value of 1.4932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2580-0680. The TPSA of 77.02 Ų falls within the moderate polarity range, balancing permeability and solubility for F2580-0680. Following Lipinski's Rule of Five, F2580-0680 has 0 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 F2580-0680?
The CAS number of F2580-0680 is 898419-48-2.
What is the molecular formula of F2580-0680?
The molecular formula of F2580-0680 is C14H12ClN3O3.
What is the molecular weight of F2580-0680?
The molecular weight of F2580-0680 is 305.06 g/mol.
Where can I buy F2580-0680?
You can request a quote for F2580-0680 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2580-0680?
Yes, KEHONG BIO provides custom synthesis services for F2580-0680 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.