2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid
TL;DR: 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid (CAS 530-77-8) is a chemical compound with molecular formula C14H16I2O3 and molecular weight 485.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid
Also Known As: Monophen, 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid, 2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid, 3-10-00-00911 (Beilstein Handbook Reference), 2-(4-Hydroxy-3,5-diiodbenzyl)-1-cyclohexancarbonsaeure
| Molecular Formula | C14H16I2O3 |
|---|---|
| Molecular Weight | 485.92 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 485.91888 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 530-77-8 |
|---|---|
| SMILES | C1CCC(C(C1)CC2=CC(=C(C(=C2)I)O)I)C(=O)O |
| InChIKey | BGDIOASGXLPOBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid (CAS 530-77-8), with molecular formula C14H16I2O3 and molecular weight 485.92 g/mol. IUPAC: 2-[(4-hydroxy-3,5-diiodophenyl)methyl]cyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid
Property Insights of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid
The XLogP value of 4.7 indicates that 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.5 Ų, 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 3 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 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid?
The CAS number of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid is 530-77-8.
What is the molecular formula of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid?
The molecular formula of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid is C14H16I2O3.
What is the molecular weight of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid?
The molecular weight of 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid is 485.92 g/mol.
Where can I buy 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid?
You can request a quote for 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Diiodo-4-hydroxybenzyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.