Methyl 2,6-dibromohexanoate
TL;DR: Methyl 2,6-dibromohexanoate (CAS 29547-05-5) is a chemical compound with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dibromohexanoate
Also Known As: Methyl 2,6-dibromohexanoate, methyl 2,6-dibromocaproate, 2,6-Dibromohexanoic acid methyl ester, Hexanoic acid, 2,6-dibromo-, methyl ester, RefChem:353698
| Molecular Formula | C7H12Br2O2 |
|---|---|
| Molecular Weight | 285.92 g/mol |
| LogP | 2.4881 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.9204 |
| Heavy Atoms | 11 |
| Complexity | 117.0082 |
Chemical Identifiers
| CAS Number | 29547-05-5 |
|---|---|
| SMILES | COC(=O)C(CCCCBr)Br |
Product Overview
Methyl 2,6-dibromohexanoate (CAS 29547-05-5), with molecular formula C7H12Br2O2 and molecular weight 285.92 g/mol. IUPAC: methyl 2,6-dibromohexanoate.
Chemical Property Profile of Methyl 2,6-dibromohexanoate
Property Insights of Methyl 2,6-dibromohexanoate
The XLogP value of 2.4881 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dibromohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,6-dibromohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dibromohexanoate 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 2,6-dibromohexanoate?
The CAS number of Methyl 2,6-dibromohexanoate is 29547-05-5.
What is the molecular formula of Methyl 2,6-dibromohexanoate?
The molecular formula of Methyl 2,6-dibromohexanoate is C7H12Br2O2.
What is the molecular weight of Methyl 2,6-dibromohexanoate?
The molecular weight of Methyl 2,6-dibromohexanoate is 285.92 g/mol.
Where can I buy Methyl 2,6-dibromohexanoate?
You can request a quote for Methyl 2,6-dibromohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2,6-dibromohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dibromohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.