![3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid structure](/static/products/4135/413593-49-4.webp)
3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid
3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid
Also Known As: CBMicro_048173|Oprea1_240053|ZINC 01467812|3-[3-(4-methylphenyl)adamantane-1-amido]benzoic acid|BIM-0048031.P001|SR-01000399451-1|3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid
CAS: 413593-49-4
| Molecular Formula | C25H27NO3 |
|---|---|
| Molecular Weight | 389.1991 g/mol |
| LogP | 5.16992 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.1991 |
| Monoisotopic Mass | 389.1991 |
| Heavy Atoms | 29 |
| Complexity | 963.81793 |
Chemical Identifiers
| CAS Number | 413593-49-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)NC5=CC=CC(=C5)C(=O)O |
Product Overview
3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid (CAS 413593-49-4), with molecular formula C25H27NO3 and molecular weight 389.1991 g/mol. IUPAC: 3-[[3-(4-methylphenyl)adamantane-1-carbonyl]amino]benzoic acid.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
3-[3-(4-Methylphenyl)adamantane-1-amido]benzoic acid is a custom synthesis product. We offer services from milligram to kilogram scale.
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