5-Ethyl-2-methylphenyl 2,5-dibromobenzoate
TL;DR: 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate (CAS 791802-89-6) is a chemical compound with molecular formula C16H14Br2O2 and molecular weight 395.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-ethyl-2-methylphenyl) 2,5-dibromobenzoate
Also Known As: 5-ethyl-2-methylphenyl 2,5-dibromobenzoate, (5-ethyl-2-methylphenyl) 2,5-dibromobenzoate, AN-652/43163337
| Molecular Formula | C16H14Br2O2 |
|---|---|
| Molecular Weight | 395.94 g/mol |
| LogP | 5.30162 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.93604 |
| Heavy Atoms | 20 |
| Complexity | 650.9203 |
Chemical Identifiers
| CAS Number | 791802-89-6 |
|---|---|
| SMILES | CCC1=CC(=C(C=C1)C)OC(=O)C2=C(C=CC(=C2)Br)Br |
Product Overview
5-Ethyl-2-methylphenyl 2,5-dibromobenzoate (CAS 791802-89-6), with molecular formula C16H14Br2O2 and molecular weight 395.94 g/mol. IUPAC: (5-ethyl-2-methylphenyl) 2,5-dibromobenzoate.
Chemical Property Profile of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate
Property Insights of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate
The XLogP value of 5.30162 indicates that 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate?
The CAS number of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate is 791802-89-6.
What is the molecular formula of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate?
The molecular formula of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate is C16H14Br2O2.
What is the molecular weight of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate?
The molecular weight of 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate is 395.94 g/mol.
Where can I buy 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate?
You can request a quote for 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2-methylphenyl 2,5-dibromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.