Ethyl 4-pyridinylcarbamate
TL;DR: Ethyl 4-pyridinylcarbamate (CAS 54287-92-2) is a chemical compound with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-pyridin-4-ylcarbamate
Also Known As: Ethyl pyridin-4-ylcarbamate, ethyl 4-pyridylcarbamate, 4-Pyridylurethan, ethyl N-pyridin-4-ylcarbamate, ethyl 4-pyridinylcarbamate
| Molecular Formula | C8H10N2O2 |
|---|---|
| Molecular Weight | 166.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.07423 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 54287-92-2 |
|---|---|
| SMILES | CCOC(=O)NC1=CC=NC=C1 |
| InChIKey | RPJQHJLOMYJUHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-pyridinylcarbamate (CAS 54287-92-2), with molecular formula C8H10N2O2 and molecular weight 166.07 g/mol. IUPAC: ethyl N-pyridin-4-ylcarbamate.
Chemical Property Profile of Ethyl 4-pyridinylcarbamate
Property Insights of Ethyl 4-pyridinylcarbamate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-pyridinylcarbamate. With a topological polar surface area (TPSA) of 51.2 Ų, Ethyl 4-pyridinylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-pyridinylcarbamate 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-pyridinylcarbamate?
The CAS number of Ethyl 4-pyridinylcarbamate is 54287-92-2.
What is the molecular formula of Ethyl 4-pyridinylcarbamate?
The molecular formula of Ethyl 4-pyridinylcarbamate is C8H10N2O2.
What is the molecular weight of Ethyl 4-pyridinylcarbamate?
The molecular weight of Ethyl 4-pyridinylcarbamate is 166.07 g/mol.
Where can I buy Ethyl 4-pyridinylcarbamate?
You can request a quote for Ethyl 4-pyridinylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-pyridinylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-pyridinylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.