alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid
TL;DR: alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid (CAS 57410-95-4) is a chemical compound with molecular formula C13H19NO4 and molecular weight 253.13141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyclohexa-1,4-dien-1-yl-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Also Known As: Boc-2,5-dihydro-D-phenylglycine, KST-1A6296, [(tert-butoxycarbonyl)amino](cyclohexa-1,4-dien-1-yl)aceticacid, alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid, alpha-[[ carbonyl]amino]cyclohexa-1,4-diene-1-aceticacid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H19NO4 |
| Molecular Weight | 253.13141 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.13141 Da |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
| SMILES | CC(C)(C)OC(=O)NC(C1=CCC=CC1)C(=O)O |
| InChIKey | VAJQVCXAZPZIGP-UHFFFAOYSA-N |
Chemical Property Profile of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid
Property Insights of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid. Following Lipinski's Rule of Five, alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid has 2 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 alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid?
The CAS number of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid is 57410-95-4.
What is the molecular formula of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid?
The molecular formula of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid is C13H19NO4.
What is the molecular weight of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid?
The molecular weight of alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid is 253.13141 g/mol.
Where can I buy alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid?
You can request a quote for alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid?
Yes, CoreyChem provides custom synthesis services for alpha-(((1,1-Dimethylethoxy)carbonyl)amino)cyclohexa-1,4-diene-1-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.