(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile
TL;DR: (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile (CAS 113093-47-3) is a chemical compound with molecular formula C9H7NO2 and molecular weight 161.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-isocyanoethenyl]benzene-1,4-diol
Also Known As: 2-(2,5-dihydroxyphenyl)vinylisocyanide, 2-[(E)-2-isocyanoethenyl]benzene-1,4-diol, (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile
| Molecular Formula | C9H7NO2 |
|---|---|
| Molecular Weight | 161.05 g/mol |
| LogP | 1.98779 |
| Topological Polar Surface Area | 44.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.04768 |
| Heavy Atoms | 12 |
| Complexity | 350.03644 |
Chemical Identifiers
| CAS Number | 113093-47-3 |
|---|---|
| SMILES | [C-]#[N+]/C=C/C1=C(C=CC(=C1)O)O |
Product Overview
(E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile (CAS 113093-47-3), with molecular formula C9H7NO2 and molecular weight 161.05 g/mol. IUPAC: 2-[(E)-2-isocyanoethenyl]benzene-1,4-diol.
Chemical Property Profile of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile
Property Insights of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile
The XLogP value of 1.98779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile. With a topological polar surface area (TPSA) of 44.82 Ų, (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile has 2 hydrogen bond donor(s) and 2 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 (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile?
The CAS number of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile is 113093-47-3.
What is the molecular formula of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile?
The molecular formula of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile is C9H7NO2.
What is the molecular weight of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile?
The molecular weight of (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile is 161.05 g/mol.
Where can I buy (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile?
You can request a quote for (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(2,5-Dihydroxyphenyl)ethene-2-isonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.