AGREA
TL;DR: AGREA (CAS 68228-09-1) is a chemical compound with molecular formula C18H25NO2 and molecular weight 287.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
AGREA
ethyl 2-[(2,4-dimethylcyclohex-3-en-1-yl)methylamino]benzoate
Also Known As: AGREA, methyl 2-cyano-3-(4-nitrophenyl)-3-oxopropanoate, ethyl 2-{[(2,4-dimethylcyclohex-3-en-1-yl)methyl]amino}benzoate, Ethyl 2-[[[2,4(or3,5)-dimethyl-3-cyclohexen-1-yl]methyl]amino]benzoate, Benzoic acid, 2-((2,4 or 3,5)-dimethyl-3-cyclohexen-1-yl, methylamino)-, ethyl ester
Technical Specifications
| Molecular Formula | C18H25NO2 |
| Molecular Weight | 287.18854 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.18854 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | CCOC(=O)C1=CC=CC=C1NCC2CCC(=CC2C)C |
| InChIKey | LMNKTHVCBXOUSI-UHFFFAOYSA-N |
Chemical Property Profile of AGREA
Property Insights of AGREA
The XLogP value of 4.7 indicates that AGREA is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, AGREA exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AGREA 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 AGREA?
The CAS number of AGREA is 68228-09-1.
What is the molecular formula of AGREA?
The molecular formula of AGREA is C18H25NO2.
What is the molecular weight of AGREA?
The molecular weight of AGREA is 287.18854 g/mol.
Where can I buy AGREA?
You can request a quote for AGREA directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AGREA?
Yes, CoreyChem provides custom synthesis services for AGREA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.