环香草酮
TL;DR: 环香草酮 (CAS 579-23-7) is a chemical compound with molecular formula C22H22O5 and molecular weight 366.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环香草酮
2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one
Also Known As: Cyclovalone, Cyqualon, Cyclovalonum, Ciclovalona, Divanil
| Molecular Formula | C22H22O5 |
|---|---|
| Molecular Weight | 366.15 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.14673 |
| Heavy Atoms | 27 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 579-23-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=C2CCCC(=CC3=CC(=C(C=C3)O)OC)C2=O)O |
| InChIKey | DHKKONBXGAAFTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环香草酮 (CAS 579-23-7), with molecular formula C22H22O5 and molecular weight 366.15 g/mol. IUPAC: 2,6-bis[(4-hydroxy-3-methoxyphenyl)methylidene]cyclohexan-1-one.
Chemical Property Profile of 环香草酮
Property Insights of 环香草酮
The XLogP value of 4.3 indicates that 环香草酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 环香草酮. Following Lipinski's Rule of Five, 环香草酮 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 环香草酮?
The CAS number of 环香草酮 is 579-23-7.
What is the molecular formula of 环香草酮?
The molecular formula of 环香草酮 is C22H22O5.
What is the molecular weight of 环香草酮?
The molecular weight of 环香草酮 is 366.15 g/mol.
Where can I buy 环香草酮?
You can request a quote for 环香草酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环香草酮?
Yes, KEHONG BIO provides custom synthesis services for 环香草酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.