Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate
TL;DR: Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate (CAS 1476047-11-6) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-amino-2-(4-chlorophenyl)propanoate
Also Known As: Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.1026 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.1026 Da |
| Heavy Atoms | 17 |
| Complexity | 280.0 |
| SMILES | CC(C)(C)OC(=O)C(C)(C1=CC=C(C=C1)Cl)N |
| InChIKey | TWPCRAPOJKEXTF-UHFFFAOYSA-N |
Chemical Property Profile of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate
Property Insights of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate. With a topological polar surface area (TPSA) of 52.3 Ų, Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate 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 Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate?
The CAS number of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate is 1476047-11-6.
What is the molecular formula of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate?
The molecular formula of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate is C13H18ClNO2.
What is the molecular weight of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate?
The molecular weight of Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate is 255.1026 g/mol.
Where can I buy Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate?
You can request a quote for Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate?
Yes, CoreyChem provides custom synthesis services for Tert-butyl 2-amino-2-(4-chlorophenyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.