Cylohexadienone
TL;DR: Cylohexadienone (CAS 38276-59-4) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one
Also Known As: Burchellin, cylohexadienone, Cyclohexadienone, 3a-Epiburchellin, 2-Epi-3a-epiburchellin
| Molecular Formula | C20H20O5 |
|---|---|
| Molecular Weight | 340.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.13107 |
| Heavy Atoms | 25 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 38276-59-4 |
|---|---|
| SMILES | CC1C(OC2=CC(=O)C(=CC12CC=C)OC)C3=CC4=C(C=C3)OCO4 |
| InChIKey | SOLJFAQVSWXZEQ-UHFFFAOYSA-N |
Product Overview
Cylohexadienone (CAS 38276-59-4), with molecular formula C20H20O5 and molecular weight 340.13 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-methoxy-3-methyl-3a-prop-2-enyl-2,3-dihydro-1-benzofuran-6-one.
Chemical Property Profile of Cylohexadienone
Property Insights of Cylohexadienone
The XLogP value of 3.8 indicates that Cylohexadienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Cylohexadienone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cylohexadienone 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 Cylohexadienone?
The CAS number of Cylohexadienone is 38276-59-4.
What is the molecular formula of Cylohexadienone?
The molecular formula of Cylohexadienone is C20H20O5.
What is the molecular weight of Cylohexadienone?
The molecular weight of Cylohexadienone is 340.13 g/mol.
Where can I buy Cylohexadienone?
You can request a quote for Cylohexadienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cylohexadienone?
Yes, KEHONG BIO provides custom synthesis services for Cylohexadienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.