![Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate structure](/static/products/6884/68845-02-3.webp)
Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
TL;DR: Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate (CAS 68845-02-3) 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-[(2,4-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
Also Known As: Triplal / Methyl anthranilate schiff base, SCHIFF'S BASE TRIPLAL-METHYL ANTHRANILATE, 2,4-ivy carbaldehyde / methyl anthranilate schiff's base, Benzoic acid, 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)-, methyl ester, Methyl 2-(((2,4-dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.15723 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 68845-02-3 |
|---|---|
| SMILES | CC1C=C(CCC1C=NC2=CC=CC=C2C(=O)OC)C |
| InChIKey | GZMGSIZLVIFVKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate (CAS 68845-02-3), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: methyl 2-[(2,4-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.
Chemical Property Profile of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
Property Insights of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate
The XLogP value of 3.1 indicates that Methyl 2-[[(2,4-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 38.7 Ų, Methyl 2-[[(2,4-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-dimethyl-3-cyclohexen-1-yl)methylene]amino]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-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The CAS number of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is 68845-02-3.
What is the molecular formula of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular formula of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is C17H21NO2.
What is the molecular weight of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
The molecular weight of Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate is 271.16 g/mol.
Where can I buy Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
You can request a quote for Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]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-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[[(2,4-dimethyl-3-cyclohexen-1-yl)methylene]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.