Methyl 11-bromoundecanoate
TL;DR: Methyl 11-bromoundecanoate (CAS 6948-74-9) is a chemical compound with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 11-bromoundecanoate
Also Known As: Methyl 11-bromoundecanoate, Br-C10-methyl ester, 11-bromoundecanoic acid methyl ester, Methyl11-Bromoundecanoate, methyl 11-bromoundecylate
| Molecular Formula | C12H23BrO2 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 278.08813 |
| Heavy Atoms | 15 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 6948-74-9 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCBr |
| InChIKey | HFNPVFKUZYCDIB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 11-bromoundecanoate (CAS 6948-74-9), with molecular formula C12H23BrO2 and molecular weight 278.09 g/mol. IUPAC: methyl 11-bromoundecanoate.
Chemical Property Profile of Methyl 11-bromoundecanoate
Property Insights of Methyl 11-bromoundecanoate
The XLogP value of 4.6 indicates that Methyl 11-bromoundecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 11-bromoundecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 11-bromoundecanoate 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 11-bromoundecanoate?
The CAS number of Methyl 11-bromoundecanoate is 6948-74-9.
What is the molecular formula of Methyl 11-bromoundecanoate?
The molecular formula of Methyl 11-bromoundecanoate is C12H23BrO2.
What is the molecular weight of Methyl 11-bromoundecanoate?
The molecular weight of Methyl 11-bromoundecanoate is 278.09 g/mol.
Where can I buy Methyl 11-bromoundecanoate?
You can request a quote for Methyl 11-bromoundecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 11-bromoundecanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 11-bromoundecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.