(2E)-4-Bromo-3-methyl-2-butenoic acid
TL;DR: (2E)-4-Bromo-3-methyl-2-butenoic acid (CAS 10295-26-8) is a chemical compound with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4-bromo-3-methylbut-2-enoic acid
Also Known As: 3-Methyl-4-bromo-2-butenoic acid, 4-bromo-3-methylbut-2-enoic acid, 4-Bromo-3-methyl-but-2-enoic acid, (E)-4-bromo-3-methylbut-2-enoic acid, (2E)-4-Bromo-3-methyl-2-butenoic acid
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.4122 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 117.59708 |
Chemical Identifiers
| CAS Number | 10295-26-8 |
|---|---|
| SMILES | C/C(=C\C(=O)O)/CBr |
Product Overview
(2E)-4-Bromo-3-methyl-2-butenoic acid (CAS 10295-26-8), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: (E)-4-bromo-3-methylbut-2-enoic acid.
Chemical Property Profile of (2E)-4-Bromo-3-methyl-2-butenoic acid
Property Insights of (2E)-4-Bromo-3-methyl-2-butenoic acid
The XLogP value of 1.4122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-Bromo-3-methyl-2-butenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, (2E)-4-Bromo-3-methyl-2-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-4-Bromo-3-methyl-2-butenoic acid has 1 hydrogen bond donor(s) and 1 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 (2E)-4-Bromo-3-methyl-2-butenoic acid?
The CAS number of (2E)-4-Bromo-3-methyl-2-butenoic acid is 10295-26-8.
What is the molecular formula of (2E)-4-Bromo-3-methyl-2-butenoic acid?
The molecular formula of (2E)-4-Bromo-3-methyl-2-butenoic acid is C5H7BrO2.
What is the molecular weight of (2E)-4-Bromo-3-methyl-2-butenoic acid?
The molecular weight of (2E)-4-Bromo-3-methyl-2-butenoic acid is 177.96 g/mol.
Where can I buy (2E)-4-Bromo-3-methyl-2-butenoic acid?
You can request a quote for (2E)-4-Bromo-3-methyl-2-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-Bromo-3-methyl-2-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-Bromo-3-methyl-2-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.