![Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate structure](/static/products/1212/1212473-14-7.webp)
Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
TL;DR: Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate (CAS 1212473-14-7) is a chemical compound with molecular formula C21H27NO4 and molecular weight 357.194 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 3-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
Also Known As: AF-399/40862676, propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate, propyl 3-((1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamido)benzoate, propyl 3-[(1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carbonyl)amino]benzoate, propyl 3-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carbonylamino]benzoate
Technical Specifications
| Molecular Formula | C21H27NO4 |
| Molecular Weight | 357.194 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 357.194 Da |
| Heavy Atoms | 26 |
| Complexity | 613.0 |
| SMILES | CCCOC(=O)C1=CC(=CC=C1)NC(=O)C23CCC(C2(C)C)(C(=O)C3)C |
| InChIKey | IHTLCXDXZUISPB-UHFFFAOYSA-N |
Chemical Property Profile of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
Property Insights of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate
The XLogP value of 3.2 indicates that Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate. Following Lipinski's Rule of Five, Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate has 1 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 Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The CAS number of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 1212473-14-7.
What is the molecular formula of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular formula of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is C21H27NO4.
What is the molecular weight of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
The molecular weight of Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate is 357.194 g/mol.
Where can I buy Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
You can request a quote for Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[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 Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate?
Yes, CoreyChem provides custom synthesis services for Propyl 3-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.