2-Bromobutyrate
TL;DR: 2-Bromobutyrate (CAS 20629-61-2) is a chemical compound with molecular formula C4H6BrO2- and molecular weight 164.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromobutanoate
Also Known As: 2-Bromobutyrate, 2-bromobutanoate, bromobutyrate, ethylbromoacetate, 2-Bromobutanoic acid
| Molecular Formula | C4H6BrO2- |
|---|---|
| Molecular Weight | 164.96 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 40.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.95512 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 20629-61-2 |
|---|---|
| SMILES | CCC(C(=O)[O-])Br |
| InChIKey | YAQLSKVCTLCIIE-UHFFFAOYSA-M |
Product Overview
2-Bromobutyrate (CAS 20629-61-2), with molecular formula C4H6BrO2- and molecular weight 164.96 g/mol. IUPAC: 2-bromobutanoate.
Chemical Property Profile of 2-Bromobutyrate
Property Insights of 2-Bromobutyrate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Bromobutyrate. With a topological polar surface area (TPSA) of 40.1 Ų, 2-Bromobutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Bromobutyrate 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-Bromobutyrate?
The CAS number of 2-Bromobutyrate is 20629-61-2.
What is the molecular formula of 2-Bromobutyrate?
The molecular formula of 2-Bromobutyrate is C4H6BrO2-.
What is the molecular weight of 2-Bromobutyrate?
The molecular weight of 2-Bromobutyrate is 164.96 g/mol.
Where can I buy 2-Bromobutyrate?
You can request a quote for 2-Bromobutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromobutyrate?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromobutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.