(3-Bromo-4-oxobutyl) benzoate
TL;DR: (3-Bromo-4-oxobutyl) benzoate (CAS 143591-85-9) is a chemical compound with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromo-4-oxobutyl) benzoate
Also Known As: Butanal, 4-(benzoyloxy)-2-bromo-, (3-bromo-4-oxo-butyl) Benzoate
| Molecular Formula | C11H11BrO3 |
|---|---|
| Molecular Weight | 269.99 g/mol |
| LogP | 2.1959 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.98917 |
| Heavy Atoms | 15 |
| Complexity | 323.86475 |
Chemical Identifiers
| CAS Number | 143591-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCC(C=O)Br |
Product Overview
(3-Bromo-4-oxobutyl) benzoate (CAS 143591-85-9), with molecular formula C11H11BrO3 and molecular weight 269.99 g/mol. IUPAC: (3-bromo-4-oxobutyl) benzoate.
Chemical Property Profile of (3-Bromo-4-oxobutyl) benzoate
Property Insights of (3-Bromo-4-oxobutyl) benzoate
The XLogP value of 2.1959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Bromo-4-oxobutyl) benzoate. With a topological polar surface area (TPSA) of 43.37 Ų, (3-Bromo-4-oxobutyl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Bromo-4-oxobutyl) benzoate has 0 hydrogen bond donor(s) and 3 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 (3-Bromo-4-oxobutyl) benzoate?
The CAS number of (3-Bromo-4-oxobutyl) benzoate is 143591-85-9.
What is the molecular formula of (3-Bromo-4-oxobutyl) benzoate?
The molecular formula of (3-Bromo-4-oxobutyl) benzoate is C11H11BrO3.
What is the molecular weight of (3-Bromo-4-oxobutyl) benzoate?
The molecular weight of (3-Bromo-4-oxobutyl) benzoate is 269.99 g/mol.
Where can I buy (3-Bromo-4-oxobutyl) benzoate?
You can request a quote for (3-Bromo-4-oxobutyl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Bromo-4-oxobutyl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (3-Bromo-4-oxobutyl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.