methyl (Z)-4-bromo-3-methylbut-2-enoate
TL;DR: methyl (Z)-4-bromo-3-methylbut-2-enoate (CAS 27652-13-7) is a chemical compound with molecular formula C6H9BrO2 and molecular weight 191.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (Z)-4-bromo-3-methylbut-2-enoate
Also Known As: methyl 4-bromo-3-methyl-2-butenoate, methyl 4-bromo-3-methylbut-2-enoate, methyl (Z)-4-bromo-3-methylbut-2-enoate, Methyl (2Z)-4-bromo-3-methyl-2-butenoate, Methyl (2Z)-4-bromo-3-methyl-2-butenoate #
| Molecular Formula | C6H9BrO2 |
|---|---|
| Molecular Weight | 191.98 g/mol |
| LogP | 1.5006 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.97859 |
| Heavy Atoms | 9 |
| Complexity | 129.01955 |
Chemical Identifiers
| CAS Number | 27652-13-7 |
|---|---|
| SMILES | C/C(=C/C(=O)OC)/CBr |
Product Overview
methyl (Z)-4-bromo-3-methylbut-2-enoate (CAS 27652-13-7), with molecular formula C6H9BrO2 and molecular weight 191.98 g/mol. IUPAC: methyl (Z)-4-bromo-3-methylbut-2-enoate.
Chemical Property Profile of methyl (Z)-4-bromo-3-methylbut-2-enoate
Property Insights of methyl (Z)-4-bromo-3-methylbut-2-enoate
The XLogP value of 1.5006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (Z)-4-bromo-3-methylbut-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (Z)-4-bromo-3-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (Z)-4-bromo-3-methylbut-2-enoate 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 methyl (Z)-4-bromo-3-methylbut-2-enoate?
The CAS number of methyl (Z)-4-bromo-3-methylbut-2-enoate is 27652-13-7.
What is the molecular formula of methyl (Z)-4-bromo-3-methylbut-2-enoate?
The molecular formula of methyl (Z)-4-bromo-3-methylbut-2-enoate is C6H9BrO2.
What is the molecular weight of methyl (Z)-4-bromo-3-methylbut-2-enoate?
The molecular weight of methyl (Z)-4-bromo-3-methylbut-2-enoate is 191.98 g/mol.
Where can I buy methyl (Z)-4-bromo-3-methylbut-2-enoate?
You can request a quote for methyl (Z)-4-bromo-3-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (Z)-4-bromo-3-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (Z)-4-bromo-3-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.