Butanoic acid, 2-bromo-, 1-methylbutyl ester
TL;DR: Butanoic acid, 2-bromo-, 1-methylbutyl ester (CAS 959289-39-5) is a chemical compound with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentan-2-yl 2-bromobutanoate
Also Known As: 2-Pentyl 2-bromobutyrate, pentan-2-yl 2-bromobutanoate, levo-2-Pentyl 2-bromobutyrate, 1-Methylbutyl 2-bromobutanoate #, Butanoic acid, 2-bromo-, 1-methylbutyl ester
| Molecular Formula | C9H17BrO2 |
|---|---|
| Molecular Weight | 236.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.04118 |
| Heavy Atoms | 12 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 959289-39-5 |
|---|---|
| SMILES | CCCC(C)OC(=O)C(CC)Br |
| InChIKey | WUYGFPWGXXGJGB-UHFFFAOYSA-N |
Product Overview
Butanoic acid, 2-bromo-, 1-methylbutyl ester (CAS 959289-39-5), with molecular formula C9H17BrO2 and molecular weight 236.04 g/mol. IUPAC: pentan-2-yl 2-bromobutanoate.
Chemical Property Profile of Butanoic acid, 2-bromo-, 1-methylbutyl ester
Property Insights of Butanoic acid, 2-bromo-, 1-methylbutyl ester
The XLogP value of 3.5 indicates that Butanoic acid, 2-bromo-, 1-methylbutyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butanoic acid, 2-bromo-, 1-methylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanoic acid, 2-bromo-, 1-methylbutyl ester 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 Butanoic acid, 2-bromo-, 1-methylbutyl ester?
The CAS number of Butanoic acid, 2-bromo-, 1-methylbutyl ester is 959289-39-5.
What is the molecular formula of Butanoic acid, 2-bromo-, 1-methylbutyl ester?
The molecular formula of Butanoic acid, 2-bromo-, 1-methylbutyl ester is C9H17BrO2.
What is the molecular weight of Butanoic acid, 2-bromo-, 1-methylbutyl ester?
The molecular weight of Butanoic acid, 2-bromo-, 1-methylbutyl ester is 236.04 g/mol.
Where can I buy Butanoic acid, 2-bromo-, 1-methylbutyl ester?
You can request a quote for Butanoic acid, 2-bromo-, 1-methylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 2-bromo-, 1-methylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 2-bromo-, 1-methylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.