Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
TL;DR: Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate (CAS 93981-49-8) 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-[(1,2-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
Also Known As: EINECS 301-135-0, methyl2-[[ methylene]amino]benzoate, Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate, METHYL 2-[[(DIMETHYL-3-CYCLOHEXEN-1-YL)METHYLENE]AMINO]BENZOATE, methyl 2-[(1,2-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate
| Molecular Formula | C17H21NO2 |
|---|---|
| Molecular Weight | 271.16 g/mol |
| LogP | 4.1679 |
| 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 | 547.6759 |
Chemical Identifiers
| CAS Number | 93981-49-8 |
|---|---|
| SMILES | CC1C=CCCC1(C)C=NC2=CC=CC=C2C(=O)OC |
Product Overview
Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate (CAS 93981-49-8), with molecular formula C17H21NO2 and molecular weight 271.16 g/mol. IUPAC: methyl 2-[(1,2-dimethylcyclohex-3-en-1-yl)methylideneamino]benzoate.
Chemical Property Profile of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
Property Insights of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate
The XLogP value of 4.1679 indicates that Methyl 2-(((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 38.66 Ų, Methyl 2-(((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-(((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-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The CAS number of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is 93981-49-8.
What is the molecular formula of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The molecular formula of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is C17H21NO2.
What is the molecular weight of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
The molecular weight of Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate is 271.16 g/mol.
Where can I buy Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
You can request a quote for Methyl 2-(((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-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(((dimethyl-3-cyclohexen-1-yl)methylene)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.