3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid
TL;DR: 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid (CAS 219691-82-4) is a chemical compound with molecular formula C16H14Br2O4 and molecular weight 427.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoic acid
Also Known As: dibromo benzoic acid, 7, 3,5-dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid, 3,5-dibromo-4-(4-hydroxy-3-propan-2-yl-phenoxy)benzoic Acid, 3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]benzoic acid
| Molecular Formula | C16H14Br2O4 |
|---|---|
| Molecular Weight | 427.93 g/mol |
| LogP | 5.5311 |
| Topological Polar Surface Area | 66.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 427.92587 |
| Heavy Atoms | 22 |
| Complexity | 703.076 |
Chemical Identifiers
| CAS Number | 219691-82-4 |
|---|---|
| SMILES | CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Br)C(=O)O)Br)O |
Product Overview
3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid (CAS 219691-82-4), with molecular formula C16H14Br2O4 and molecular weight 427.93 g/mol. IUPAC: 3,5-dibromo-4-(4-hydroxy-3-propan-2-ylphenoxy)benzoic acid.
Chemical Property Profile of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid
Property Insights of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid
The XLogP value of 5.5311 indicates that 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid. Following Lipinski's Rule of Five, 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid?
The CAS number of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid is 219691-82-4.
What is the molecular formula of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid?
The molecular formula of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid is C16H14Br2O4.
What is the molecular weight of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid?
The molecular weight of 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid is 427.93 g/mol.
Where can I buy 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid?
You can request a quote for 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibromo-4-(4-hydroxy-3-isopropylphenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.