Isofebrifugine
TL;DR: Isofebrifugine (CAS 496-32-2) is a chemical compound with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one
Also Known As: Isofebrifugine, isofebrifugin, IsofeBioifugine, alpha-Dichroine, Febrifugine
| Molecular Formula | C16H19N3O3 |
|---|---|
| Molecular Weight | 301.14 g/mol |
| LogP | 0.626 |
| Topological Polar Surface Area | 76.38 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.14264 |
| Heavy Atoms | 22 |
| Complexity | 743.6296 |
Chemical Identifiers
| CAS Number | 496-32-2 |
|---|---|
| SMILES | C1C[C@H]2[C@H](CC(O2)(CN3C=NC4=CC=CC=C4C3=O)O)NC1 |
Product Overview
Isofebrifugine (CAS 496-32-2), with molecular formula C16H19N3O3 and molecular weight 301.14 g/mol. IUPAC: 3-[[(3aS,7aS)-2-hydroxy-3a,4,5,6,7,7a-hexahydro-3H-furo[3,2-b]pyridin-2-yl]methyl]quinazolin-4-one.
Chemical Property Profile of Isofebrifugine
Property Insights of Isofebrifugine
The XLogP value of 0.626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isofebrifugine. The TPSA of 76.38 Ų falls within the moderate polarity range, balancing permeability and solubility for Isofebrifugine. Following Lipinski's Rule of Five, Isofebrifugine has 2 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 Isofebrifugine?
The CAS number of Isofebrifugine is 496-32-2.
What is the molecular formula of Isofebrifugine?
The molecular formula of Isofebrifugine is C16H19N3O3.
What is the molecular weight of Isofebrifugine?
The molecular weight of Isofebrifugine is 301.14 g/mol.
Where can I buy Isofebrifugine?
You can request a quote for Isofebrifugine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isofebrifugine?
Yes, KEHONG BIO provides custom synthesis services for Isofebrifugine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.