AF-399/37305041
TL;DR: AF-399/37305041 (CAS 325693-99-0) is a chemical compound with molecular formula C25H23N3O4 and molecular weight 429.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione
Also Known As: AF-399/37305041, (E)-2-(2-(4-(3-(furan-2-yl)acryloyl)piperazin-1-yl)ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione, F0478-0012, 2-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione, 3-(2-{4-[(2E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl}ethyl)-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
| Molecular Formula | C25H23N3O4 |
|---|---|
| Molecular Weight | 429.17 g/mol |
| LogP | 2.8864 |
| Topological Polar Surface Area | 74.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.16885 |
| Heavy Atoms | 32 |
| Complexity | 1156.4099 |
Chemical Identifiers
| CAS Number | 325693-99-0 |
|---|---|
| SMILES | C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)C(=O)/C=C/C5=CC=CO5 |
Product Overview
AF-399/37305041 (CAS 325693-99-0), with molecular formula C25H23N3O4 and molecular weight 429.17 g/mol. IUPAC: 2-[2-[4-[(E)-3-(furan-2-yl)prop-2-enoyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione.
Chemical Property Profile of AF-399/37305041
Property Insights of AF-399/37305041
The XLogP value of 2.8864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/37305041. The TPSA of 74.07 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/37305041. Following Lipinski's Rule of Five, AF-399/37305041 has 0 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 AF-399/37305041?
The CAS number of AF-399/37305041 is 325693-99-0.
What is the molecular formula of AF-399/37305041?
The molecular formula of AF-399/37305041 is C25H23N3O4.
What is the molecular weight of AF-399/37305041?
The molecular weight of AF-399/37305041 is 429.17 g/mol.
Where can I buy AF-399/37305041?
You can request a quote for AF-399/37305041 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/37305041?
Yes, KEHONG BIO provides custom synthesis services for AF-399/37305041 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.