Butyl bromoacetate
TL;DR: Butyl bromoacetate (CAS 18991-98-5) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-bromoacetate
Also Known As: Butyl bromoacetate, butyl 2-bromoacetate, butylbromoacetate, butyl2-bromoacetate, n-butyl monobromoacetate
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 83.0 |
Chemical Identifiers
| CAS Number | 18991-98-5 |
|---|---|
| SMILES | CCCCOC(=O)CBr |
| InChIKey | NMEGSGKCIWQRDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl bromoacetate (CAS 18991-98-5), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: butyl 2-bromoacetate.
Chemical Property Profile of Butyl bromoacetate
Property Insights of Butyl bromoacetate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl bromoacetate 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 Butyl bromoacetate?
The CAS number of Butyl bromoacetate is 18991-98-5.
What is the molecular formula of Butyl bromoacetate?
The molecular formula of Butyl bromoacetate is C6H11BrO2.
What is the molecular weight of Butyl bromoacetate?
The molecular weight of Butyl bromoacetate is 193.99 g/mol.
Where can I buy Butyl bromoacetate?
You can request a quote for Butyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.