Phenylalanine, 1,1-dimethylethyl ester
TL;DR: Phenylalanine, 1,1-dimethylethyl ester (CAS 6404-30-4) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-amino-3-phenylpropanoate
Also Known As: tert-butyl 2-amino-3-phenylpropanoate, H-Phe-OtBu, l-phe t-butyl ester, tert-Butyl DL-phenylalaninate, D,L-phenylalanine tert-butyl ester
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 6404-30-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC1=CC=CC=C1)N |
| InChIKey | QOISWWBTZMFUEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanine, 1,1-dimethylethyl ester (CAS 6404-30-4), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: tert-butyl 2-amino-3-phenylpropanoate.
Chemical Property Profile of Phenylalanine, 1,1-dimethylethyl ester
Property Insights of Phenylalanine, 1,1-dimethylethyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine, 1,1-dimethylethyl ester. With a topological polar surface area (TPSA) of 52.3 Ų, Phenylalanine, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylalanine, 1,1-dimethylethyl ester 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
Frequently Asked Questions
What is the CAS number of Phenylalanine, 1,1-dimethylethyl ester?
The CAS number of Phenylalanine, 1,1-dimethylethyl ester is 6404-30-4.
What is the molecular formula of Phenylalanine, 1,1-dimethylethyl ester?
The molecular formula of Phenylalanine, 1,1-dimethylethyl ester is C13H19NO2.
What is the molecular weight of Phenylalanine, 1,1-dimethylethyl ester?
The molecular weight of Phenylalanine, 1,1-dimethylethyl ester is 221.14 g/mol.
Where can I buy Phenylalanine, 1,1-dimethylethyl ester?
You can request a quote for Phenylalanine, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanine, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanine, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.