4-Bromo-3-(bromomethyl)but-2-enoic acid
TL;DR: 4-Bromo-3-(bromomethyl)but-2-enoic acid (CAS 76702-32-4) is a chemical compound with molecular formula C5H6Br2O2 and molecular weight 255.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-3-(bromomethyl)but-2-enoic acid
Also Known As: 4-bromo-3-(bromomethyl)but-2-enoic acid, 4-Bromo-3-(bromomethyl)-2-butenoic Acid
| Molecular Formula | C5H6Br2O2 |
|---|---|
| Molecular Weight | 255.87 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.87344 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 76702-32-4 |
|---|---|
| SMILES | C(C(=CC(=O)O)CBr)Br |
| InChIKey | KMTDARCKZOIGRN-UHFFFAOYSA-N |
Product Overview
4-Bromo-3-(bromomethyl)but-2-enoic acid (CAS 76702-32-4), with molecular formula C5H6Br2O2 and molecular weight 255.87 g/mol. IUPAC: 4-bromo-3-(bromomethyl)but-2-enoic acid.
Chemical Property Profile of 4-Bromo-3-(bromomethyl)but-2-enoic acid
Property Insights of 4-Bromo-3-(bromomethyl)but-2-enoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-3-(bromomethyl)but-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Bromo-3-(bromomethyl)but-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-(bromomethyl)but-2-enoic acid has 1 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 4-Bromo-3-(bromomethyl)but-2-enoic acid?
The CAS number of 4-Bromo-3-(bromomethyl)but-2-enoic acid is 76702-32-4.
What is the molecular formula of 4-Bromo-3-(bromomethyl)but-2-enoic acid?
The molecular formula of 4-Bromo-3-(bromomethyl)but-2-enoic acid is C5H6Br2O2.
What is the molecular weight of 4-Bromo-3-(bromomethyl)but-2-enoic acid?
The molecular weight of 4-Bromo-3-(bromomethyl)but-2-enoic acid is 255.87 g/mol.
Where can I buy 4-Bromo-3-(bromomethyl)but-2-enoic acid?
You can request a quote for 4-Bromo-3-(bromomethyl)but-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-3-(bromomethyl)but-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-(bromomethyl)but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.