2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester
TL;DR: 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester (CAS 50428-87-0) is a chemical compound with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-bromo-3-(bromomethyl)but-2-enoate
Also Known As: methyl 4-bromo-3-(bromomethyl)but-2-enoate, 4,4'-Dibrom-seneciosaeuremethylester, 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester, Methyl 4-bromo-3-(bromomethyl)-2-butenoate, Methyl 4-bromo-3-(bromomethyl)-2-butenoate #
| Molecular Formula | C6H8Br2O2 |
|---|---|
| Molecular Weight | 269.89 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.8891 |
| Heavy Atoms | 10 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 50428-87-0 |
|---|---|
| SMILES | COC(=O)C=C(CBr)CBr |
| InChIKey | MFBSPKCELSWCOX-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester (CAS 50428-87-0), with molecular formula C6H8Br2O2 and molecular weight 269.89 g/mol. IUPAC: methyl 4-bromo-3-(bromomethyl)but-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester
Property Insights of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl 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 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester?
The CAS number of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester is 50428-87-0.
What is the molecular formula of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester is C6H8Br2O2.
What is the molecular weight of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester is 269.89 g/mol.
Where can I buy 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-bromo-3-(bromomethyl)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.