Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester
TL;DR: Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester (CAS 67801-42-7) is a chemical compound with molecular formula C17H25NO2 and molecular weight 275.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(3,5,5-trimethylhexylideneamino)benzoate
Also Known As: ISONOMILAT 258 E, methyl 2-(3,5,5-trimethylhexylideneamino)benzoate, Isononanal / Methylanthranilate (Schiff base), Methyl 2-((3,5,5-trimethylhexylidene)amino)benzoate, Benzoic acid, 2-[(3,5,5-trimethylhexylidene)amino]-, methyl ester
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H25NO2 |
| Molecular Weight | 275.18854 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 275.18854 Da |
| Heavy Atoms | 20 |
| Complexity | 330.0 |
| SMILES | CC(CC=NC1=CC=CC=C1C(=O)OC)CC(C)(C)C |
| InChIKey | GDZCMPXAZSTQGM-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester
Property Insights of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester
The XLogP value of 4.4 indicates that Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester 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
What is the CAS number of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester?
The CAS number of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester is 67801-42-7.
What is the molecular formula of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester?
The molecular formula of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester is C17H25NO2.
What is the molecular weight of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester?
The molecular weight of Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester is 275.18854 g/mol.
Where can I buy Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester?
You can request a quote for Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-((3,5,5-trimethylhexylidene)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.