![Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester structure](/static/products/6193/61931-71-3.webp)
Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester
TL;DR: Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester (CAS 61931-71-3) is a chemical compound with molecular formula C22H16Br4O4 and molecular weight 659.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate
Also Known As: ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate, Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester, Ethyl 2-(bis(3,5-dibromo-4-hydroxyphenyl)methyl)benzoate, Benzoic acid, 2-(bis(3,5-dibromo-4-hydroxyphenyl)methyl)-, ethyl ester, 2-[Bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoic acid ethyl ester
| Molecular Formula | C22H16Br4O4 |
|---|---|
| Molecular Weight | 659.78 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 663.7741 |
| Heavy Atoms | 30 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 61931-71-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(C2=CC(=C(C(=C2)Br)O)Br)C3=CC(=C(C(=C3)Br)O)Br |
| InChIKey | KFSRWWJHWXPGQO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester (CAS 61931-71-3), with molecular formula C22H16Br4O4 and molecular weight 659.78 g/mol. IUPAC: ethyl 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]benzoate.
Chemical Property Profile of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester
Property Insights of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester
The XLogP value of 7.6 indicates that Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester. Following Lipinski's Rule of Five, Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester?
The CAS number of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester is 61931-71-3.
What is the molecular formula of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester?
The molecular formula of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester is C22H16Br4O4.
What is the molecular weight of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester?
The molecular weight of Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester is 659.78 g/mol.
Where can I buy Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester?
You can request a quote for Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-[bis(3,5-dibromo-4-hydroxyphenyl)methyl]-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.