Ethyl (4-fluorophenyl)carbamate
TL;DR: Ethyl (4-fluorophenyl)carbamate (CAS 457-77-2) is a chemical compound with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-fluorophenyl)carbamate
Also Known As: p-fluorophenylurethane, ethyl (4-fluorophenyl)carbamate, ethyl N-(4-fluorophenyl)carbamate, ethoxy-N-(4-fluorophenyl)carboxamide, carbamic acid, n-(4-fluorophenyl)-, ethyl ester
| Molecular Formula | C9H10FNO2 |
|---|---|
| Molecular Weight | 183.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.06955 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 457-77-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=C(C=C1)F |
| InChIKey | DINDVNWMRYDSGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (4-fluorophenyl)carbamate (CAS 457-77-2), with molecular formula C9H10FNO2 and molecular weight 183.07 g/mol. IUPAC: ethyl N-(4-fluorophenyl)carbamate.
Chemical Property Profile of Ethyl (4-fluorophenyl)carbamate
Property Insights of Ethyl (4-fluorophenyl)carbamate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (4-fluorophenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl (4-fluorophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (4-fluorophenyl)carbamate has 1 hydrogen bond donor(s) and 3 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 (4-fluorophenyl)carbamate?
The CAS number of Ethyl (4-fluorophenyl)carbamate is 457-77-2.
What is the molecular formula of Ethyl (4-fluorophenyl)carbamate?
The molecular formula of Ethyl (4-fluorophenyl)carbamate is C9H10FNO2.
What is the molecular weight of Ethyl (4-fluorophenyl)carbamate?
The molecular weight of Ethyl (4-fluorophenyl)carbamate is 183.07 g/mol.
Where can I buy Ethyl (4-fluorophenyl)carbamate?
You can request a quote for Ethyl (4-fluorophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (4-fluorophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (4-fluorophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.