Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester
TL;DR: Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester (CAS 116366-27-9) is a chemical compound with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate
Also Known As: N-Boc-4-nitro-L-phenylalanine t-Butyl Ester, Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester, tert-butyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrophenyl)propanoate, Phenylalanine, N-tertbutyloxycarbonyl-4-nitro-, tertbutyl(ester), 2-t-butoxycarbonylamino-3-(4-nitrophenyl)propionic acid t-butyl ester
| Molecular Formula | C18H26N2O6 |
|---|---|
| Molecular Weight | 366.18 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.17908 |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 116366-27-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | CIIPFNPETNNJDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester (CAS 116366-27-9), with molecular formula C18H26N2O6 and molecular weight 366.18 g/mol. IUPAC: tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)propanoate.
Chemical Property Profile of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester
Property Insights of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester. Following Lipinski's Rule of Five, Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester has 1 hydrogen bond donor(s) and 6 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, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester?
The CAS number of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester is 116366-27-9.
What is the molecular formula of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester?
The molecular formula of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester is C18H26N2O6.
What is the molecular weight of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester?
The molecular weight of Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester is 366.18 g/mol.
Where can I buy Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester?
You can request a quote for Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanine, N-t-butyloxycarbonyl-4-nitro-, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.