Ethyl (5-bromopyridin-2-yl)carbamate
TL;DR: Ethyl (5-bromopyridin-2-yl)carbamate (CAS 81211-79-2) is a chemical compound with molecular formula C8H9BrN2O2 and molecular weight 243.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-bromo-2-pyridinyl)carbamate
Also Known As: ChemDiv2_002112, ethyl (5-bromopyridin-2-yl)carbamate, ethyl N-(5-bromopyridin-2-yl)carbamate, ethyl 5-bromo-pyridin-2-yl-carbamate, Ethyl 5-bromo-2-pyridinylcarbamate #
| Molecular Formula | C8H9BrN2O2 |
|---|---|
| Molecular Weight | 243.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.98474 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 81211-79-2 |
|---|---|
| SMILES | CCOC(=O)NC1=NC=C(C=C1)Br |
| InChIKey | SJKTUPAXGHJDEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl (5-bromopyridin-2-yl)carbamate (CAS 81211-79-2), with molecular formula C8H9BrN2O2 and molecular weight 243.98 g/mol. IUPAC: ethyl N-(5-bromo-2-pyridinyl)carbamate.
Chemical Property Profile of Ethyl (5-bromopyridin-2-yl)carbamate
Property Insights of Ethyl (5-bromopyridin-2-yl)carbamate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-bromopyridin-2-yl)carbamate. With a topological polar surface area (TPSA) of 51.2 Ų, Ethyl (5-bromopyridin-2-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (5-bromopyridin-2-yl)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 (5-bromopyridin-2-yl)carbamate?
The CAS number of Ethyl (5-bromopyridin-2-yl)carbamate is 81211-79-2.
What is the molecular formula of Ethyl (5-bromopyridin-2-yl)carbamate?
The molecular formula of Ethyl (5-bromopyridin-2-yl)carbamate is C8H9BrN2O2.
What is the molecular weight of Ethyl (5-bromopyridin-2-yl)carbamate?
The molecular weight of Ethyl (5-bromopyridin-2-yl)carbamate is 243.98 g/mol.
Where can I buy Ethyl (5-bromopyridin-2-yl)carbamate?
You can request a quote for Ethyl (5-bromopyridin-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-bromopyridin-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-bromopyridin-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.