![4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol structure](/static/products/111/111279-04-0.png)
4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol
TL;DR: 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol (CAS 111279-04-0) is a chemical compound with molecular formula C14H13NO3 and molecular weight 243.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol
Also Known As: Hit2Lead 5375437, BIM-0019602.P001, 4-{[(3-methoxyphenyl)imino]methyl}-1,3-benzenediol, 4-{(E)-[(3-methoxyphenyl)imino]methyl}benzene-1,3-diol, 4-[(1E)-2-(3-methoxyphenyl)-2-azavinyl]benzene-1,3-diol
| Molecular Formula | C14H13NO3 |
|---|---|
| Molecular Weight | 243.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 243.08954 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 111279-04-0 |
|---|---|
| SMILES | COC1=CC=CC(=C1)N=CC2=C(C=C(C=C2)O)O |
| InChIKey | NKYUKROTGDGGHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol (CAS 111279-04-0), with molecular formula C14H13NO3 and molecular weight 243.09 g/mol. IUPAC: 4-[(3-methoxyphenyl)iminomethyl]benzene-1,3-diol.
Chemical Property Profile of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol
Property Insights of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol. Following Lipinski's Rule of Five, 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol 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 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol?
The CAS number of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol is 111279-04-0.
What is the molecular formula of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol?
The molecular formula of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol is C14H13NO3.
What is the molecular weight of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol?
The molecular weight of 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol is 243.09 g/mol.
Where can I buy 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol?
You can request a quote for 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(3-Methoxyphenyl)imino]methyl]benzene-1,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.