ethyl N-(2-bromo-4-methylphenyl)carbamate
TL;DR: ethyl N-(2-bromo-4-methylphenyl)carbamate (CAS 112671-44-0) is a chemical compound with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(2-bromo-4-methylphenyl)carbamate
Also Known As: ethyl N-(2-bromo-4-methylphenyl)carbamate, ethyl (2-bromo-4-methylphenyl)carbamate, ethyl (2-bromo-4-tolyl)carbamate, ethyl 2-bromo-4-methylphenylcarbamate, N-(2-bromo-4-methylphenyl)ethoxycarboxamide
| Molecular Formula | C10H12BrNO2 |
|---|---|
| Molecular Weight | 257.01 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.00513 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 112671-44-0 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C=C(C=C1)C)Br |
| InChIKey | VOJOJXFEHNYMDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl N-(2-bromo-4-methylphenyl)carbamate (CAS 112671-44-0), with molecular formula C10H12BrNO2 and molecular weight 257.01 g/mol. IUPAC: ethyl N-(2-bromo-4-methylphenyl)carbamate.
Chemical Property Profile of ethyl N-(2-bromo-4-methylphenyl)carbamate
Property Insights of ethyl N-(2-bromo-4-methylphenyl)carbamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-(2-bromo-4-methylphenyl)carbamate. With a topological polar surface area (TPSA) of 38.3 Ų, ethyl N-(2-bromo-4-methylphenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl N-(2-bromo-4-methylphenyl)carbamate 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-(2-bromo-4-methylphenyl)carbamate?
The CAS number of ethyl N-(2-bromo-4-methylphenyl)carbamate is 112671-44-0.
What is the molecular formula of ethyl N-(2-bromo-4-methylphenyl)carbamate?
The molecular formula of ethyl N-(2-bromo-4-methylphenyl)carbamate is C10H12BrNO2.
What is the molecular weight of ethyl N-(2-bromo-4-methylphenyl)carbamate?
The molecular weight of ethyl N-(2-bromo-4-methylphenyl)carbamate is 257.01 g/mol.
Where can I buy ethyl N-(2-bromo-4-methylphenyl)carbamate?
You can request a quote for ethyl N-(2-bromo-4-methylphenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-(2-bromo-4-methylphenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-(2-bromo-4-methylphenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.