![Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate structure](/static/products/491/491831-33-5.webp)
Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate
TL;DR: Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate (CAS 491831-33-5) 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.
methyl 4-(bicyclo[2.2.1]heptane-2-carbonylamino)benzoate
Also Known As: methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate, methyl 4-(bicyclo[2.2.1]heptane-3-carbonylamino)benzoate, methyl 4-(bicyclo[2.2.1]hept-2-ylcarbonylamino)benzoate, methyl 4-(bicyclo[2.2.1]heptane-2-carbonylamino)benzoate
Technical Specifications
| Molecular Formula | C16H19NO3 |
| Molecular Weight | 273.1365 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.1365 Da |
| Heavy Atoms | 20 |
| Complexity | 387.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2CC3CCC2C3 |
| InChIKey | UWWDLKGAZOKCQP-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate
Property Insights of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate
The XLogP value of 3.0 indicates that Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)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 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)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 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate?
The CAS number of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate is 491831-33-5.
What is the molecular formula of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate?
The molecular formula of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate is C16H19NO3.
What is the molecular weight of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate?
The molecular weight of Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate is 273.1365 g/mol.
Where can I buy Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate?
You can request a quote for Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-[(bicyclo[2.2.1]hept-2-ylcarbonyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.