2-Butenoic acid, 4-bromo-, methyl ester
TL;DR: 2-Butenoic acid, 4-bromo-, methyl ester (CAS 6000-00-6) 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.
methyl (E)-4-bromobut-2-enoate
Also Known As: Methyl 4-bromocrotonate, (E)-Methyl 4-bromobut-2-enoate, methyl 4-bromobut-2-enoate, methyl-4-bromcrotonat, Methyl bromocrotonate
| Molecular Formula | C5H7BrO2 |
|---|---|
| Molecular Weight | 177.96 g/mol |
| LogP | 1.1105 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 177.96294 |
| Heavy Atoms | 8 |
| Complexity | 98.60179 |
Chemical Identifiers
| CAS Number | 6000-00-6 |
|---|---|
| SMILES | COC(=O)/C=C/CBr |
Product Overview
2-Butenoic acid, 4-bromo-, methyl ester (CAS 6000-00-6), with molecular formula C5H7BrO2 and molecular weight 177.96 g/mol. IUPAC: methyl (E)-4-bromobut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 4-bromo-, methyl ester
Property Insights of 2-Butenoic acid, 4-bromo-, methyl ester
The XLogP value of 1.1105 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butenoic acid, 4-bromo-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 4-bromo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 4-bromo-, 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-, methyl ester?
The CAS number of 2-Butenoic acid, 4-bromo-, methyl ester is 6000-00-6.
What is the molecular formula of 2-Butenoic acid, 4-bromo-, methyl ester?
The molecular formula of 2-Butenoic acid, 4-bromo-, methyl ester is C5H7BrO2.
What is the molecular weight of 2-Butenoic acid, 4-bromo-, methyl ester?
The molecular weight of 2-Butenoic acid, 4-bromo-, methyl ester is 177.96 g/mol.
Where can I buy 2-Butenoic acid, 4-bromo-, methyl ester?
You can request a quote for 2-Butenoic acid, 4-bromo-, 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-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 4-bromo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.