![3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid structure](/static/products/6937/693797-51-2.webp)
3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
TL;DR: 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid (CAS 693797-51-2) is a chemical compound with molecular formula C16H15IO5 and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
Also Known As: CBKinase1_003621, CBKinase1_016021, 3-[[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid, AH-487/41949970, 3-{[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl}benzoic acid
| Molecular Formula | C16H15IO5 |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 3.0693 |
| Topological Polar Surface Area | 75.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 413.99643 |
| Heavy Atoms | 22 |
| Complexity | 684.23157 |
Chemical Identifiers
| CAS Number | 693797-51-2 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)CO)I)OCC2=CC(=CC=C2)C(=O)O |
Product Overview
3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid (CAS 693797-51-2), with molecular formula C16H15IO5 and molecular weight 414.00 g/mol. IUPAC: 3-[[4-(hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid.
Chemical Property Profile of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
Property Insights of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid
The XLogP value of 3.0693 indicates that 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid. Following Lipinski's Rule of Five, 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid has 2 hydrogen bond donor(s) and 4 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 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid?
The CAS number of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid is 693797-51-2.
What is the molecular formula of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid?
The molecular formula of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid is C16H15IO5.
What is the molecular weight of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid?
The molecular weight of 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid is 414.00 g/mol.
Where can I buy 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid?
You can request a quote for 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]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-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[[4-(Hydroxymethyl)-2-iodo-6-methoxyphenoxy]methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.