3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate
TL;DR: 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate (CAS 93014-31-4) is a chemical compound with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate
Also Known As: o-Nitro carbanilic acid, cinnamyl ester, 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate, [(E)-3-phenylprop-2-enyl] N-(2-nitrophenyl)carbamate
| Molecular Formula | C16H14N2O4 |
|---|---|
| Molecular Weight | 298.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 298.09537 |
| Heavy Atoms | 22 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 93014-31-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C=CCOC(=O)NC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | OZCYFXADSJBCHE-UHFFFAOYSA-N |
Product Overview
3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate (CAS 93014-31-4), with molecular formula C16H14N2O4 and molecular weight 298.10 g/mol. IUPAC: 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate.
Chemical Property Profile of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate
Property Insights of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate
The XLogP value of 4.2 indicates that 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate. Following Lipinski's Rule of Five, 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate has 1 hydrogen bond donor(s) and 4 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 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate?
The CAS number of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate is 93014-31-4.
What is the molecular formula of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate?
The molecular formula of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate is C16H14N2O4.
What is the molecular weight of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate?
The molecular weight of 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate is 298.10 g/mol.
Where can I buy 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate?
You can request a quote for 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 3-phenylprop-2-enyl N-(2-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.