4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate
TL;DR: 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate (CAS 64325-18-4) is a chemical compound with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenylpropanoate
Also Known As: 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate, (4-nitrophenyl) 2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenylpropanoate
| Molecular Formula | C21H21N3O6 |
|---|---|
| Molecular Weight | 411.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 411.14304 |
| Heavy Atoms | 30 |
| Complexity | 646.0 |
Chemical Identifiers
| CAS Number | 64325-18-4 |
|---|---|
| SMILES | CC(=C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | STOPANFMPLJRSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate (CAS 64325-18-4), with molecular formula C21H21N3O6 and molecular weight 411.14 g/mol. IUPAC: (4-nitrophenyl) 2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenylpropanoate.
Chemical Property Profile of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate
Property Insights of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate
The XLogP value of 3.1 indicates that 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate. Following Lipinski's Rule of Five, 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate has 2 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-(2-methylprop-2-enoyl)glycylphenylalaninate?
The CAS number of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate is 64325-18-4.
What is the molecular formula of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate?
The molecular formula of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate is C21H21N3O6.
What is the molecular weight of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate?
The molecular weight of 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate is 411.14 g/mol.
Where can I buy 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate?
You can request a quote for 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate 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-(2-methylprop-2-enoyl)glycylphenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl N-(2-methylprop-2-enoyl)glycylphenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.