![Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate structure](/static/products/856/85650-95-9.png)
Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate
TL;DR: Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate (CAS 85650-95-9) is a chemical compound with molecular formula C17H21NO2 and molecular weight 271.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate
Also Known As: Methyl 2-(((dimethylcyclohexenyl)methylene)amino)benzoate, methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate, Benzoic acid,2-[[(dimethylcyclohexenyl)methylene]amino]-, methyl ester (9CI)
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.312 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 557.86334 |
Chemical Identifiers
| CAS Number | 85650-95-9 |
|---|---|
| SMILES | CC1CCCC(=C1C)C=NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate (CAS 85650-95-9), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate.
Chemical Property Profile of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate
Property Insights of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate
The XLogP value of 4.312 indicates that Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate has 0 hydrogen bond donor(s) and 3 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 Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate?
The CAS number of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate is 85650-95-9.
What is the molecular formula of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate?
The molecular formula of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate is C17H21NO2.
What is the molecular weight of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate?
The molecular weight of Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate is 271.16 g/mol.
Where can I buy Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate?
You can request a quote for Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[(2,3-dimethylcyclohexen-1-yl)methylideneamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.