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Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate (CAS 4522-04-7) is a chemical compound with molecular formula C16H23NO4 and molecular weight 293.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate, NCI60_005171, Phenylalanine, N-t-butoxycarbonyl, ethyl ester, J1.351.473I, N-[(1,1-dimethylethoxy)carbonyl]-L-Phenylalanine ethyl ester
| Molecular Formula | C16H23NO4 |
|---|---|
| Molecular Weight | 293.16 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 293.16272 |
| Heavy Atoms | 21 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 4522-04-7 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
| InChIKey | XICJPCJVGUIDED-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate (CAS 4522-04-7), with molecular formula C16H23NO4 and molecular weight 293.16 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate 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
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate is 4522-04-7.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate is C16H23NO4.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate is 293.16 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.