2-Bromoethyl chloroformate
TL;DR: 2-Bromoethyl chloroformate (CAS 4801-27-8) is a chemical compound with molecular formula C3H4BrClO2 and molecular weight 185.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromoethyl carbonochloridate
Also Known As: 2-Bromoethyl chloroformate, 2-bromoethyl carbonochloridate, 2-Bromoethylchloroformate, 2-Bromoethyl chlorocarbonate, (2-Bromoethyl) chloroformate
| Molecular Formula | C3H4BrClO2 |
|---|---|
| Molecular Weight | 185.91 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 185.90833 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 4801-27-8 |
|---|---|
| SMILES | C(CBr)OC(=O)Cl |
| InChIKey | ZLCKDYMZBZNBMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Bromoethyl chloroformate (CAS 4801-27-8), with molecular formula C3H4BrClO2 and molecular weight 185.91 g/mol. IUPAC: 2-bromoethyl carbonochloridate.
Chemical Property Profile of 2-Bromoethyl chloroformate
Property Insights of 2-Bromoethyl chloroformate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromoethyl chloroformate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Bromoethyl chloroformate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromoethyl chloroformate has 0 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-Bromoethyl chloroformate?
The CAS number of 2-Bromoethyl chloroformate is 4801-27-8.
What is the molecular formula of 2-Bromoethyl chloroformate?
The molecular formula of 2-Bromoethyl chloroformate is C3H4BrClO2.
What is the molecular weight of 2-Bromoethyl chloroformate?
The molecular weight of 2-Bromoethyl chloroformate is 185.91 g/mol.
Where can I buy 2-Bromoethyl chloroformate?
You can request a quote for 2-Bromoethyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromoethyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromoethyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.