![methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate structure](/static/products/1212/1212459-84-1.webp)
methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
TL;DR: methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate (CAS 1212459-84-1) is a chemical compound with molecular formula C19H23NO3 and molecular weight 313.1678 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Also Known As: methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate, methyl 2-((1S,4S)-3,3-dimethyl-2-methylenebicyclo[2.2.1]heptane-1-carboxamido)benzoate, methyl 2-[(2,2-dimethyl-3-methylidenebicyclo[2.2.1]heptane-4-carbonyl)amino]benzoate, methyl 2-[(3,3-dimethyl-2-methylenebicyclo[2.2.1]heptyl)carbonylamino]benzoate
Technical Specifications
| Molecular Formula | C19H23NO3 |
| Molecular Weight | 313.1678 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.1678 Da |
| Heavy Atoms | 23 |
| Complexity | 539.0 |
| SMILES | CC1(C2CCC(C2)(C1=C)C(=O)NC3=CC=CC=C3C(=O)OC)C |
| InChIKey | UWIRPRUODJWTAK-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Property Insights of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
The XLogP value of 3.9 indicates that methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate 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 methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The CAS number of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 1212459-84-1.
What is the molecular formula of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular formula of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is C19H23NO3.
What is the molecular weight of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular weight of methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 313.1678 g/mol.
Where can I buy methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
You can request a quote for methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 2-{[(3,3-dimethyl-2-methylidenebicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.