4-Methoxybenzylidene-3-thujone
TL;DR: 4-Methoxybenzylidene-3-thujone (CAS 67800-84-4) is a chemical compound with molecular formula C18H22O2 and molecular weight 270.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methoxyphenyl)methylidene]-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
Also Known As: 4-Methoxybenzylidene-3-thujone, Bicyclo[3.1.0]hexan-3-one, 2-[(4-methoxyphenyl)methylene]-4-methyl-1-(1-methylethyl)-, 2-[(4-methoxyphenyl)methylidene]-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one, Bicyclo(3.1.0)hexan-3-one, 2-((4-methoxyphenyl)methylene)-4-methyl-1-(1-methylethyl)-, 2-[(4-METHOXYPHENYL)METHYLENE]-4-METHYL-1-(1-METHYLETHYL)BICYCLO[3.1.0]HEXAN-3-ONE
| Molecular Formula | C18H22O2 |
|---|---|
| Molecular Weight | 270.16 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 270.162 |
| Heavy Atoms | 20 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 67800-84-4 |
|---|---|
| SMILES | CC1C2CC2(C(=CC3=CC=C(C=C3)OC)C1=O)C(C)C |
| InChIKey | FUCFYAOLAKHLBH-UHFFFAOYSA-N |
Product Overview
4-Methoxybenzylidene-3-thujone (CAS 67800-84-4), with molecular formula C18H22O2 and molecular weight 270.16 g/mol. IUPAC: 2-[(4-methoxyphenyl)methylidene]-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one.
Chemical Property Profile of 4-Methoxybenzylidene-3-thujone
Property Insights of 4-Methoxybenzylidene-3-thujone
The XLogP value of 4.3 indicates that 4-Methoxybenzylidene-3-thujone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Methoxybenzylidene-3-thujone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methoxybenzylidene-3-thujone has 0 hydrogen bond donor(s) and 2 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 4-Methoxybenzylidene-3-thujone?
The CAS number of 4-Methoxybenzylidene-3-thujone is 67800-84-4.
What is the molecular formula of 4-Methoxybenzylidene-3-thujone?
The molecular formula of 4-Methoxybenzylidene-3-thujone is C18H22O2.
What is the molecular weight of 4-Methoxybenzylidene-3-thujone?
The molecular weight of 4-Methoxybenzylidene-3-thujone is 270.16 g/mol.
Where can I buy 4-Methoxybenzylidene-3-thujone?
You can request a quote for 4-Methoxybenzylidene-3-thujone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methoxybenzylidene-3-thujone?
Yes, KEHONG BIO provides custom synthesis services for 4-Methoxybenzylidene-3-thujone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.