![3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid structure](/static/products/116/1164484-18-7.webp)
3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
TL;DR: 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid (CAS 1164484-18-7) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.1365 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-4-[[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino]benzoic acid
Also Known As: IDI1_023902, (E)-3-methyl-4-(((3-methyl-2-oxocyclohexylidene)methyl)amino)benzoic acid, 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid, 3-methyl-4-[[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino]benzoic acid, 3-METHYL-4-({[(1E)-3-METHYL-2-OXOCYCLOHEXYLIDENE]METHYL}AMINO)BENZOIC ACID
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
| SMILES | CC1CCC/C(=C\NC2=C(C=C(C=C2)C(=O)O)C)/C1=O |
| InChIKey | GLDFXSBXUAWNSW-UKTHLTGXSA-N |
Chemical Property Profile of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
Property Insights of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid
The XLogP value of 3.2 indicates that 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The CAS number of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is 1164484-18-7.
What is the molecular formula of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular formula of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is C16H19NO3.
What is the molecular weight of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
The molecular weight of 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid is 273.1365 g/mol.
Where can I buy 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
You can request a quote for 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-methyl-4-{[(E)-(3-methyl-2-oxocyclohexylidene)methyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.