4,4 ,7,7 -Tetramethylsalen
TL;DR: 4,4 ,7,7 -Tetramethylsalen (CAS 60630-08-2) is a chemical compound with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[N-[2-[1-(2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-methylphenol
Also Known As: 4,4 ,7,7 -Tetramethylsalen, J1.917.305D, 2,2 -[Ethylenebis(nitriloethylidyne)]bis(4-methylphenol), 4-methyl-6-[1-[2-[1-(3-methyl-6-oxocyclohexa-2,4-dien-1-ylid, 6,6'-[Ethane-1,2-diylbis(azanediyleth-1-yl-1-ylidene)]bis(4-methylcyclohexa-2,4-dien-1-one)
| Molecular Formula | C20H24N2O2 |
|---|---|
| Molecular Weight | 324.18 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.18378 |
| Heavy Atoms | 24 |
| Complexity | 419.0 |
Chemical Identifiers
| CAS Number | 60630-08-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)O)C(=NCCN=C(C)C2=C(C=CC(=C2)C)O)C |
| InChIKey | VMURSXBCHMOQIJ-UHFFFAOYSA-N |
Product Overview
4,4 ,7,7 -Tetramethylsalen (CAS 60630-08-2), with molecular formula C20H24N2O2 and molecular weight 324.18 g/mol. IUPAC: 2-[N-[2-[1-(2-hydroxy-5-methylphenyl)ethylideneamino]ethyl]-C-methylcarbonimidoyl]-4-methylphenol.
Chemical Property Profile of 4,4 ,7,7 -Tetramethylsalen
Property Insights of 4,4 ,7,7 -Tetramethylsalen
The XLogP value of 3.2 indicates that 4,4 ,7,7 -Tetramethylsalen is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4 ,7,7 -Tetramethylsalen. Following Lipinski's Rule of Five, 4,4 ,7,7 -Tetramethylsalen has 2 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 4,4 ,7,7 -Tetramethylsalen?
The CAS number of 4,4 ,7,7 -Tetramethylsalen is 60630-08-2.
What is the molecular formula of 4,4 ,7,7 -Tetramethylsalen?
The molecular formula of 4,4 ,7,7 -Tetramethylsalen is C20H24N2O2.
What is the molecular weight of 4,4 ,7,7 -Tetramethylsalen?
The molecular weight of 4,4 ,7,7 -Tetramethylsalen is 324.18 g/mol.
Where can I buy 4,4 ,7,7 -Tetramethylsalen?
You can request a quote for 4,4 ,7,7 -Tetramethylsalen directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4 ,7,7 -Tetramethylsalen?
Yes, KEHONG BIO provides custom synthesis services for 4,4 ,7,7 -Tetramethylsalen and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.