6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile
TL;DR: 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile (CAS 109018-38-4) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile
Also Known As: 6-(2,4-dihydroxy-phenyl)-6-oxo-hexanenitrile, 6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 81.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 109018-38-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1O)O)C(=O)CCCCC#N |
| InChIKey | AAOWUCIJAMITRS-UHFFFAOYSA-N |
Product Overview
6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile (CAS 109018-38-4), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: 6-(2,4-dihydroxyphenyl)-6-oxohexanenitrile.
Chemical Property Profile of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile
Property Insights of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile. The TPSA of 81.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile. Following Lipinski's Rule of Five, 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile 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 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile?
The CAS number of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile is 109018-38-4.
What is the molecular formula of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile?
The molecular formula of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile is C12H13NO3.
What is the molecular weight of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile?
The molecular weight of 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile is 219.09 g/mol.
Where can I buy 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile?
You can request a quote for 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,4-Dihydroxyphenyl)-6-oxohexanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.