Methyl 2,6-dibromobenzoate
TL;DR: Methyl 2,6-dibromobenzoate (CAS 873994-34-4) is a chemical compound with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,6-dibromobenzoate
Also Known As: methyl 2,6-dibromobenzoate, 2,6-Dibromobenzoic acid methyl ester, methyl2,6-dibromobenzoate, methyl 2,6-bis(bromanyl)benzoate, Benzoic acid, 2,6-dibromo-, methyl ester
| Molecular Formula | C8H6Br2O2 |
|---|---|
| Molecular Weight | 291.87 g/mol |
| LogP | 2.9982 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 291.87344 |
| Heavy Atoms | 12 |
| Complexity | 289.6762 |
Chemical Identifiers
| CAS Number | 873994-34-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC=C1Br)Br |
Product Overview
Methyl 2,6-dibromobenzoate (CAS 873994-34-4), with molecular formula C8H6Br2O2 and molecular weight 291.87 g/mol. IUPAC: methyl 2,6-dibromobenzoate.
Chemical Property Profile of Methyl 2,6-dibromobenzoate
Property Insights of Methyl 2,6-dibromobenzoate
The XLogP value of 2.9982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2,6-dibromobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 2,6-dibromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2,6-dibromobenzoate 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-dibromobenzoate?
The CAS number of Methyl 2,6-dibromobenzoate is 873994-34-4.
What is the molecular formula of Methyl 2,6-dibromobenzoate?
The molecular formula of Methyl 2,6-dibromobenzoate is C8H6Br2O2.
What is the molecular weight of Methyl 2,6-dibromobenzoate?
The molecular weight of Methyl 2,6-dibromobenzoate is 291.87 g/mol.
Where can I buy Methyl 2,6-dibromobenzoate?
You can request a quote for Methyl 2,6-dibromobenzoate 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-dibromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2,6-dibromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.