Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate
TL;DR: Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate (CAS 6953-37-3) is a chemical compound with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate
Also Known As: benzyl N-[(benzyloxy)carbonyl]-4-nitrophenylalaninate, benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate, benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propa, Benzyl 3-(4-nitrophenyl)-2-phenylmethoxycarbonylamino-propanoate, phenylalanine, 4-nitro-N-[(phenylmethoxy)carbonyl]-, phenylmethyl ester
| Molecular Formula | C24H22N2O6 |
|---|---|
| Molecular Weight | 434.15 g/mol |
| LogP | 4.1757 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 434.1478 |
| Heavy Atoms | 32 |
| Complexity | 1039.1041 |
Chemical Identifiers
| CAS Number | 6953-37-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])NC(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate (CAS 6953-37-3), with molecular formula C24H22N2O6 and molecular weight 434.15 g/mol. IUPAC: benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate
Property Insights of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate
The XLogP value of 4.1757 indicates that Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate 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 Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate. Following Lipinski's Rule of Five, Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate 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 Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate?
The CAS number of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate is 6953-37-3.
What is the molecular formula of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate?
The molecular formula of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate is C24H22N2O6.
What is the molecular weight of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate?
The molecular weight of Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate is 434.15 g/mol.
Where can I buy Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate?
You can request a quote for Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(4-nitrophenyl)-2-(phenylmethoxycarbonylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.