3-n-Boc-3-(4-cyanophenyl)propionic acid
TL;DR: 3-n-Boc-3-(4-cyanophenyl)propionic acid (CAS 500770-82-1) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-cyanophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Also Known As: Not Available, 3-n-boc-3-(4-cyanophenyl)propionic acid, 4-Nitrophenylacetone, boc-3-amino-3-(4-cyanophenyl)propionic acid, 3-N-Boc-3- propionicacid
Technical Specifications
| Molecular Formula | C15H18N2O4 |
| Molecular Weight | 290.12665 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 99.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 290.12665 Da |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| SMILES | CC(C)(C)OC(=O)NC(CC(=O)O)C1=CC=C(C=C1)C#N |
| InChIKey | PYMTTWVQVSELBI-UHFFFAOYSA-N |
Chemical Property Profile of 3-n-Boc-3-(4-cyanophenyl)propionic acid
Property Insights of 3-n-Boc-3-(4-cyanophenyl)propionic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-n-Boc-3-(4-cyanophenyl)propionic acid. The TPSA of 99.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-n-Boc-3-(4-cyanophenyl)propionic acid. Following Lipinski's Rule of Five, 3-n-Boc-3-(4-cyanophenyl)propionic acid has 2 hydrogen bond donor(s) and 5 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-n-Boc-3-(4-cyanophenyl)propionic acid?
The CAS number of 3-n-Boc-3-(4-cyanophenyl)propionic acid is 500770-82-1.
What is the molecular formula of 3-n-Boc-3-(4-cyanophenyl)propionic acid?
The molecular formula of 3-n-Boc-3-(4-cyanophenyl)propionic acid is C15H18N2O4.
What is the molecular weight of 3-n-Boc-3-(4-cyanophenyl)propionic acid?
The molecular weight of 3-n-Boc-3-(4-cyanophenyl)propionic acid is 290.12665 g/mol.
Where can I buy 3-n-Boc-3-(4-cyanophenyl)propionic acid?
You can request a quote for 3-n-Boc-3-(4-cyanophenyl)propionic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-n-Boc-3-(4-cyanophenyl)propionic acid?
Yes, CoreyChem provides custom synthesis services for 3-n-Boc-3-(4-cyanophenyl)propionic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.