3-Deoxyradicinol 4-ketone
TL;DR: 3-Deoxyradicinol 4-ketone (CAS 84413-76-3) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione
Also Known As: 3-Deoxyradicinol 4-ketone
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 84413-76-3 |
|---|---|
| SMILES | CC=CC1=CC2=C(C(=O)CC(O2)C)C(=O)O1 |
| InChIKey | SHGIAYIFKLLQOL-UHFFFAOYSA-N |
Product Overview
3-Deoxyradicinol 4-ketone (CAS 84413-76-3), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2-methyl-7-prop-1-enyl-2,3-dihydropyrano[3,2-c]pyran-4,5-dione.
Chemical Property Profile of 3-Deoxyradicinol 4-ketone
Property Insights of 3-Deoxyradicinol 4-ketone
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Deoxyradicinol 4-ketone. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Deoxyradicinol 4-ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Deoxyradicinol 4-ketone 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 3-Deoxyradicinol 4-ketone?
The CAS number of 3-Deoxyradicinol 4-ketone is 84413-76-3.
What is the molecular formula of 3-Deoxyradicinol 4-ketone?
The molecular formula of 3-Deoxyradicinol 4-ketone is C12H12O4.
What is the molecular weight of 3-Deoxyradicinol 4-ketone?
The molecular weight of 3-Deoxyradicinol 4-ketone is 220.07 g/mol.
Where can I buy 3-Deoxyradicinol 4-ketone?
You can request a quote for 3-Deoxyradicinol 4-ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Deoxyradicinol 4-ketone?
Yes, KEHONG BIO provides custom synthesis services for 3-Deoxyradicinol 4-ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.