Ethyl N-phenylcarbamate
TL;DR: Ethyl N-phenylcarbamate (CAS 101-99-5) is a chemical compound with molecular formula C9H11NO2 and molecular weight 165.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-phenylcarbamate
Also Known As: Phenylurethane, Ethyl phenylcarbamate, N-Phenylurethane, Phenylurethan, ETHYL N-PHENYLCARBAMATE
| Molecular Formula | C9H11NO2 |
|---|---|
| Molecular Weight | 165.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.07898 |
| Heavy Atoms | 12 |
| Complexity | 141.0 |
| Melting Point | 52-53 °C |
| Boiling Point | 238 °C |
| Density | 1.1064 at 20 °C |
| Solubility | Slightly soluble in water; freely sol in alcohol, ether |
| Vapor Pressure | 0.02 [mmHg] |
| Refractive Index | 1.1064 at 20 °C: Maximum absorption (alcohol) 235.5 nm (log epsilon=4.23); 274 nm (log epsilon=2.93) |
Chemical Identifiers
| CAS Number | 101-99-5 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=CC=C1 |
| InChIKey | LBKPGNUOUPTQKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N-phenylcarbamate (CAS 101-99-5), with molecular formula C9H11NO2 and molecular weight 165.08 g/mol. IUPAC: ethyl N-phenylcarbamate.
Chemical Property Profile of Ethyl N-phenylcarbamate
Property Insights of Ethyl N-phenylcarbamate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N-phenylcarbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl N-phenylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl N-phenylcarbamate has 1 hydrogen bond donor(s) and 2 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 Ethyl N-phenylcarbamate?
The CAS number of Ethyl N-phenylcarbamate is 101-99-5.
What is the molecular formula of Ethyl N-phenylcarbamate?
The molecular formula of Ethyl N-phenylcarbamate is C9H11NO2.
What is the molecular weight of Ethyl N-phenylcarbamate?
The molecular weight of Ethyl N-phenylcarbamate is 165.08 g/mol.
Where can I buy Ethyl N-phenylcarbamate?
You can request a quote for Ethyl N-phenylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N-phenylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N-phenylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.