![4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate structure](/static/products/3411/3411-74-3.webp)
4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate
TL;DR: 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate (CAS 3411-74-3) is a chemical compound with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate
Also Known As: Z-Val-ONp, Z-L-valine 4-nitrophenyl ester, 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate, 4-Nitrophenyl N-((benzyloxy)carbonyl)-L-valinate, (4-nitrophenyl) (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
| Molecular Formula | C19H20N2O6 |
|---|---|
| Molecular Weight | 372.13 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.13214 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 3411-74-3 |
|---|---|
| SMILES | CC(C)C(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2 |
| InChIKey | GLFONBITBIYJPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate (CAS 3411-74-3), with molecular formula C19H20N2O6 and molecular weight 372.13 g/mol. IUPAC: (4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)butanoate.
Chemical Property Profile of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate
Property Insights of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate
The XLogP value of 4.1 indicates that 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate 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 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate. Following Lipinski's Rule of Five, 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate 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 N-[(benzyloxy)carbonyl]valinate?
The CAS number of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate is 3411-74-3.
What is the molecular formula of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate?
The molecular formula of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate is C19H20N2O6.
What is the molecular weight of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate?
The molecular weight of 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate is 372.13 g/mol.
Where can I buy 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate?
You can request a quote for 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl N-[(benzyloxy)carbonyl]valinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.