p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate
TL;DR: p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate (CAS 2130-99-6) 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) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate
Also Known As: Z-Ile-ONp, Z-L-ILE-ONP, 4-nitrophenyl n-[(benzyloxy)carbonyl]isoleucinate, p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate, p-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinate
| Molecular Formula | C20H22N2O6 |
|---|---|
| Molecular Weight | 386.15 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 386.1478 |
| Heavy Atoms | 28 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 2130-99-6 |
|---|---|
| SMILES | CCC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | NJDZCCJYUBNBMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate (CAS 2130-99-6), with molecular formula C20H22N2O6 and molecular weight 386.15 g/mol. IUPAC: (4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate.
Chemical Property Profile of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate
Property Insights of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate
The XLogP value of 4.5 indicates that p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate 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 p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate. Following Lipinski's Rule of Five, p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate 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 p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate?
The CAS number of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate is 2130-99-6.
What is the molecular formula of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate?
The molecular formula of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate is C20H22N2O6.
What is the molecular weight of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate?
The molecular weight of p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate is 386.15 g/mol.
Where can I buy p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate?
You can request a quote for p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate?
Yes, KEHONG BIO provides custom synthesis services for p-Nitrophenyl N-((benzyloxy)carbonyl)-L-isoleucinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.