(4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate
TL;DR: (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate (CAS 64129-73-3) is a chemical compound with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate
Also Known As: (4-nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate, 3-(Methacryloylamino)propionic acid 4-nitrophenyl ester, 4-Nitrophenyl N-(2-methylprop-2-enoyl)-beta-alaninate, 4-NITROPHENYL 3-(2-METHYLPROP-2-ENAMIDO)PROPANOATE
| Molecular Formula | C13H14N2O5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.09027 |
| Heavy Atoms | 20 |
| Complexity | 394.0 |
Chemical Identifiers
| CAS Number | 64129-73-3 |
|---|---|
| SMILES | CC(=C)C(=O)NCCC(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | CIOUJHCVWKGWSD-UHFFFAOYSA-N |
Product Overview
(4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate (CAS 64129-73-3), with molecular formula C13H14N2O5 and molecular weight 278.09 g/mol. IUPAC: (4-nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate.
Chemical Property Profile of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate
Property Insights of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate. Following Lipinski's Rule of Five, (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate has 1 hydrogen bond donor(s) and 5 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) 3-(2-methylprop-2-enoylamino)propanoate?
The CAS number of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate is 64129-73-3.
What is the molecular formula of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate?
The molecular formula of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate is C13H14N2O5.
What is the molecular weight of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate?
The molecular weight of (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate is 278.09 g/mol.
Where can I buy (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate?
You can request a quote for (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Nitrophenyl) 3-(2-methylprop-2-enoylamino)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.