F0463-0034
TL;DR: F0463-0034 (CAS 868613-98-3) is a chemical compound with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile
Also Known As: F0463-0034, (E)-4-(1,3-dioxo-2-isoindolinyl)-2-(1-methyl-1,3-dihydro-2H-1,3-benzimidazol-2-ylidene)acetoacetonitrile, 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-2-[(2E)-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-3-oxobutanenitrile
| Molecular Formula | C20H14N4O3 |
|---|---|
| Molecular Weight | 358.11 g/mol |
| LogP | 2.66218 |
| Topological Polar Surface Area | 99.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.1066 |
| Heavy Atoms | 27 |
| Complexity | 1148.4001 |
Chemical Identifiers
| CAS Number | 868613-98-3 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N=C1C(=C(CN3C(=O)C4=CC=CC=C4C3=O)O)C#N |
Product Overview
F0463-0034 (CAS 868613-98-3), with molecular formula C20H14N4O3 and molecular weight 358.11 g/mol. IUPAC: 4-(1,3-dioxoisoindol-2-yl)-3-hydroxy-2-(1-methylbenzimidazol-2-yl)but-2-enenitrile.
Chemical Property Profile of F0463-0034
Property Insights of F0463-0034
The XLogP value of 2.66218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F0463-0034. The TPSA of 99.22 Ų falls within the moderate polarity range, balancing permeability and solubility for F0463-0034. Following Lipinski's Rule of Five, F0463-0034 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 F0463-0034?
The CAS number of F0463-0034 is 868613-98-3.
What is the molecular formula of F0463-0034?
The molecular formula of F0463-0034 is C20H14N4O3.
What is the molecular weight of F0463-0034?
The molecular weight of F0463-0034 is 358.11 g/mol.
Where can I buy F0463-0034?
You can request a quote for F0463-0034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F0463-0034?
Yes, KEHONG BIO provides custom synthesis services for F0463-0034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.