2-(4-Nitrophenyl)propan-2-yl phenylcarbamate
TL;DR: 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate (CAS 917-76-0) is a chemical compound with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)propan-2-yl N-phenylcarbamate
Also Known As: 2-(4-nitrophenyl)propan-2-yl phenylcarbamate, 2-(4-nitrophenyl)propan-2-yl N-phenylcarbamate, Benzene,1,1'-[propylidenebis(thiomethylene)]bis
| Molecular Formula | C16H16N2O4 |
|---|---|
| Molecular Weight | 300.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.111 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 917-76-0 |
|---|---|
| SMILES | CC(C)(C1=CC=C(C=C1)[N+](=O)[O-])OC(=O)NC2=CC=CC=C2 |
| InChIKey | FKKYGLHSPWOEAJ-UHFFFAOYSA-N |
Product Overview
2-(4-Nitrophenyl)propan-2-yl phenylcarbamate (CAS 917-76-0), with molecular formula C16H16N2O4 and molecular weight 300.11 g/mol. IUPAC: 2-(4-nitrophenyl)propan-2-yl N-phenylcarbamate.
Chemical Property Profile of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate
Property Insights of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate
The XLogP value of 3.4 indicates that 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate 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 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate 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 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate?
The CAS number of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate is 917-76-0.
What is the molecular formula of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate?
The molecular formula of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate is C16H16N2O4.
What is the molecular weight of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate?
The molecular weight of 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate is 300.11 g/mol.
Where can I buy 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate?
You can request a quote for 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)propan-2-yl phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.