Methyl 5-bromo-5-hexenoate
TL;DR: Methyl 5-bromo-5-hexenoate (CAS 279214-92-5) is a chemical compound with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromohex-5-enoate
Also Known As: methyl 5-bromohex-5-enoate, Methyl 5-bromo-5-hexenoate, Methyl 5-bromo-5-hexenoate #, 5-Hexenoic acid, 5-bromo-, methyl ester
| Molecular Formula | C7H11BrO2 |
|---|---|
| Molecular Weight | 205.99 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 205.99425 |
| Heavy Atoms | 10 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 279214-92-5 |
|---|---|
| SMILES | COC(=O)CCCC(=C)Br |
| InChIKey | XXSUTWSKXTYTDC-UHFFFAOYSA-N |
Product Overview
Methyl 5-bromo-5-hexenoate (CAS 279214-92-5), with molecular formula C7H11BrO2 and molecular weight 205.99 g/mol. IUPAC: methyl 5-bromohex-5-enoate.
Chemical Property Profile of Methyl 5-bromo-5-hexenoate
Property Insights of Methyl 5-bromo-5-hexenoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-bromo-5-hexenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-bromo-5-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-bromo-5-hexenoate 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 5-bromo-5-hexenoate?
The CAS number of Methyl 5-bromo-5-hexenoate is 279214-92-5.
What is the molecular formula of Methyl 5-bromo-5-hexenoate?
The molecular formula of Methyl 5-bromo-5-hexenoate is C7H11BrO2.
What is the molecular weight of Methyl 5-bromo-5-hexenoate?
The molecular weight of Methyl 5-bromo-5-hexenoate is 205.99 g/mol.
Where can I buy Methyl 5-bromo-5-hexenoate?
You can request a quote for Methyl 5-bromo-5-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-bromo-5-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-bromo-5-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.