N-Carbobenzoxyalanine 4-nitrophenyl ester
TL;DR: N-Carbobenzoxyalanine 4-nitrophenyl ester (CAS 1168-87-2) is a chemical compound with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-(phenylmethoxycarbonylamino)propanoate
Also Known As: Z-Ala-ONp, N-CBzAla NPE, Z-L-Ala-ONp, 3,5-Di-tert-butylaniline, N-Carbobenzoxyalanine 4-nitrophenyl ester
| Molecular Formula | C17H16N2O6 |
|---|---|
| Molecular Weight | 344.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 344.10083 |
| Heavy Atoms | 25 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 1168-87-2 |
|---|---|
| SMILES | CC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | SXWWICLSRXPNNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Carbobenzoxyalanine 4-nitrophenyl ester (CAS 1168-87-2), with molecular formula C17H16N2O6 and molecular weight 344.10 g/mol. IUPAC: (4-nitrophenyl) 2-(phenylmethoxycarbonylamino)propanoate.
Chemical Property Profile of N-Carbobenzoxyalanine 4-nitrophenyl ester
Property Insights of N-Carbobenzoxyalanine 4-nitrophenyl ester
The XLogP value of 3.1 indicates that N-Carbobenzoxyalanine 4-nitrophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Carbobenzoxyalanine 4-nitrophenyl ester. Following Lipinski's Rule of Five, N-Carbobenzoxyalanine 4-nitrophenyl 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 N-Carbobenzoxyalanine 4-nitrophenyl ester?
The CAS number of N-Carbobenzoxyalanine 4-nitrophenyl ester is 1168-87-2.
What is the molecular formula of N-Carbobenzoxyalanine 4-nitrophenyl ester?
The molecular formula of N-Carbobenzoxyalanine 4-nitrophenyl ester is C17H16N2O6.
What is the molecular weight of N-Carbobenzoxyalanine 4-nitrophenyl ester?
The molecular weight of N-Carbobenzoxyalanine 4-nitrophenyl ester is 344.10 g/mol.
Where can I buy N-Carbobenzoxyalanine 4-nitrophenyl ester?
You can request a quote for N-Carbobenzoxyalanine 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Carbobenzoxyalanine 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-Carbobenzoxyalanine 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.