Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
TL;DR: Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate (CAS 68738-99-8) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(2,4-dimethylcyclohex-3-en-1-ylidene)methylamino]benzoate
Also Known As: methyl 2-[(2,4-dimethylcyclohex-3-en-1-ylidene)methylamino]benzoate, Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate, Methyl 2-[[[2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl]methylene]amino]benzoate, Methyl 2-{[(2,4-dimethylcyclohex-3-en-1-ylidene)methyl]amino}benzoate, 272-124-5
Technical Specifications
| Molecular Formula | C17H21NO2 |
| Molecular Weight | 271.15723 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.15723 Da |
| Heavy Atoms | 20 |
| Complexity | 411.0 |
| SMILES | CC1C=C(CCC1=CNC2=CC=CC=C2C(=O)OC)C |
| InChIKey | KDSJAOIHFZMUNK-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
Property Insights of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
The XLogP value of 3.9 indicates that Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The CAS number of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is 68738-99-8.
What is the molecular formula of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The molecular formula of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is C17H21NO2.
What is the molecular weight of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The molecular weight of Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is 271.15723 g/mol.
Where can I buy Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
You can request a quote for Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-(((2,4(or 3,5)-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.