2-Chloroethyl N-(4-bromophenyl)carbamate
TL;DR: 2-Chloroethyl N-(4-bromophenyl)carbamate (CAS 29867-98-9) is a chemical compound with molecular formula C9H9BrClNO2 and molecular weight 276.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl N-(4-bromophenyl)carbamate
Also Known As: 2-chloroethylN- carbamate, 2-chloroethyl N-(4-bromophenyl)carbamate, 2-Chloroethyl (4-bromophenyl)carbamate, 2-chloroethyl(4-bromophenyl)carbamate, (4-Brom-phenyl)-carbamidsaeure-(2-chlor-aethylester)
| Molecular Formula | C9H9BrClNO2 |
|---|---|
| Molecular Weight | 276.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.95053 |
| Heavy Atoms | 14 |
| Complexity | 184.0 |
Chemical Identifiers
| CAS Number | 29867-98-9 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCCCl)Br |
| InChIKey | WIWWEOXZPMCYEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl N-(4-bromophenyl)carbamate (CAS 29867-98-9), with molecular formula C9H9BrClNO2 and molecular weight 276.95 g/mol. IUPAC: 2-chloroethyl N-(4-bromophenyl)carbamate.
Chemical Property Profile of 2-Chloroethyl N-(4-bromophenyl)carbamate
Property Insights of 2-Chloroethyl N-(4-bromophenyl)carbamate
The XLogP value of 3.2 indicates that 2-Chloroethyl N-(4-bromophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Chloroethyl N-(4-bromophenyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl N-(4-bromophenyl)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 2-Chloroethyl N-(4-bromophenyl)carbamate?
The CAS number of 2-Chloroethyl N-(4-bromophenyl)carbamate is 29867-98-9.
What is the molecular formula of 2-Chloroethyl N-(4-bromophenyl)carbamate?
The molecular formula of 2-Chloroethyl N-(4-bromophenyl)carbamate is C9H9BrClNO2.
What is the molecular weight of 2-Chloroethyl N-(4-bromophenyl)carbamate?
The molecular weight of 2-Chloroethyl N-(4-bromophenyl)carbamate is 276.95 g/mol.
Where can I buy 2-Chloroethyl N-(4-bromophenyl)carbamate?
You can request a quote for 2-Chloroethyl N-(4-bromophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroethyl N-(4-bromophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl N-(4-bromophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.