![3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid structure](/static/products/121/1212199-05-7.webp)
3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
TL;DR: 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid (CAS 1212199-05-7) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.1314 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1R,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]benzoic acid
Also Known As: 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid, 3-[(1R,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]benzoic acid
Technical Specifications
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.1314 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.1314 Da |
| Heavy Atoms | 22 |
| Complexity | 541.0 |
| SMILES | C[C@@]12CC[C@H](C1(C)C)C(=O)N(C2=O)C3=CC=CC(=C3)C(=O)O |
| InChIKey | RJZCEWWZBKTLLG-SJCJKPOMSA-N |
Chemical Property Profile of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
Property Insights of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid. Following Lipinski's Rule of Five, 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid 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 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid?
The CAS number of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid is 1212199-05-7.
What is the molecular formula of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid?
The molecular formula of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid is C17H19NO4.
What is the molecular weight of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid?
The molecular weight of 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid is 301.1314 g/mol.
Where can I buy 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid?
You can request a quote for 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 3-((1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.