Sec-butyl bromoacetate
TL;DR: Sec-butyl bromoacetate (CAS 5205-36-7) 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.
butan-2-yl 2-bromoacetate
Also Known As: Sec-butyl bromoacetate, SEC-BUTYL 2-BROMOACETATE, butan-2-yl 2-bromoacetate, s-butylbromoacetate, sec-Butyl2-Bromoacetate
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 93.0 |
Chemical Identifiers
| CAS Number | 5205-36-7 |
|---|---|
| SMILES | CCC(C)OC(=O)CBr |
| InChIKey | AYUZHUMAYBBDJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sec-butyl bromoacetate (CAS 5205-36-7), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: butan-2-yl 2-bromoacetate.
Chemical Property Profile of Sec-butyl bromoacetate
Property Insights of Sec-butyl bromoacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Sec-butyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Sec-butyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sec-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 Sec-butyl bromoacetate?
The CAS number of Sec-butyl bromoacetate is 5205-36-7.
What is the molecular formula of Sec-butyl bromoacetate?
The molecular formula of Sec-butyl bromoacetate is C6H11BrO2.
What is the molecular weight of Sec-butyl bromoacetate?
The molecular weight of Sec-butyl bromoacetate is 193.99 g/mol.
Where can I buy Sec-butyl bromoacetate?
You can request a quote for Sec-butyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sec-butyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Sec-butyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.