Fraxinellonone
TL;DR: Fraxinellonone (CAS 128475-17-2) is a chemical compound with molecular formula C14H14O4 and molecular weight 246.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione
Also Known As: Fraxinellonone, MEGxp0_000827, ACon1_000877, NCI60_036419, (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione
| Molecular Formula | C14H14O4 |
|---|---|
| Molecular Weight | 246.09 g/mol |
| LogP | 2.5632 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.0892 |
| Heavy Atoms | 18 |
| Complexity | 552.35895 |
Chemical Identifiers
| CAS Number | 128475-17-2 |
|---|---|
| SMILES | CC1=C2C(=O)O[C@H]([C@@]2(CCC1=O)C)C3=COC=C3 |
Product Overview
Fraxinellonone (CAS 128475-17-2), with molecular formula C14H14O4 and molecular weight 246.09 g/mol. IUPAC: (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-4,5-dihydro-3H-2-benzofuran-1,6-dione.
Chemical Property Profile of Fraxinellonone
Property Insights of Fraxinellonone
The XLogP value of 2.5632 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fraxinellonone. With a topological polar surface area (TPSA) of 56.51 Ų, Fraxinellonone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fraxinellonone 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 Fraxinellonone?
The CAS number of Fraxinellonone is 128475-17-2.
What is the molecular formula of Fraxinellonone?
The molecular formula of Fraxinellonone is C14H14O4.
What is the molecular weight of Fraxinellonone?
The molecular weight of Fraxinellonone is 246.09 g/mol.
Where can I buy Fraxinellonone?
You can request a quote for Fraxinellonone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fraxinellonone?
Yes, KEHONG BIO provides custom synthesis services for Fraxinellonone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.