4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate
TL;DR: 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate (CAS 19901-44-1) is a chemical compound with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate
Also Known As: Boc-Phe-ONp, Boc-D-Phe-ONp, Boc-D-phenylalanine 4-nitrophenyl ester, 4-nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate, 6-NITRO-3-INDAZOLECARBOXYLICACID
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 3.6362 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 828.0245 |
Chemical Identifiers
| CAS Number | 19901-44-1 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate (CAS 19901-44-1), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: (4-nitrophenyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoate.
Chemical Property Profile of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate
Property Insights of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate
The XLogP value of 3.6362 indicates that 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate. Following Lipinski's Rule of Five, 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate 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 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate?
The CAS number of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate is 19901-44-1.
What is the molecular formula of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate?
The molecular formula of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate is C20H22N2O6.
What is the molecular weight of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate?
The molecular weight of 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate is 386.15 g/mol.
Where can I buy 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate?
You can request a quote for 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.