1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime
TL;DR: 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime (CAS 22919-58-0) is a chemical compound with molecular formula C9H11NO3 and molecular weight 181.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(C-ethyl-N-hydroxycarbonimidoyl)benzene-1,3-diol
Also Known As: 2,4-Dihydroxypropiophenone oxime, 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime, 2',4'-Dihydroxypropiophenone oxime, Propiophenone, 2',4'-dihydroxy-, oxime, Benzothiazole, 7-methyl- (7CI,8CI,9CI)
| Molecular Formula | C9H11NO3 |
|---|---|
| Molecular Weight | 181.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.0739 |
| Heavy Atoms | 13 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 22919-58-0 |
|---|---|
| SMILES | CCC(=NO)C1=C(C=C(C=C1)O)O |
| InChIKey | BYURKXUVPLZDSO-UHFFFAOYSA-N |
Product Overview
1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime (CAS 22919-58-0), with molecular formula C9H11NO3 and molecular weight 181.07 g/mol. IUPAC: 4-(C-ethyl-N-hydroxycarbonimidoyl)benzene-1,3-diol.
Chemical Property Profile of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime
Property Insights of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime. Following Lipinski's Rule of Five, 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime has 3 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 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime?
The CAS number of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime is 22919-58-0.
What is the molecular formula of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime?
The molecular formula of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime is C9H11NO3.
What is the molecular weight of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime?
The molecular weight of 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime is 181.07 g/mol.
Where can I buy 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime?
You can request a quote for 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-Propanone, 1-(2,4-dihydroxyphenyl)-, oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.