2-Hydroxyimino-1-phenylbutane-1,3-dione
TL;DR: 2-Hydroxyimino-1-phenylbutane-1,3-dione (CAS 6797-44-0) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one
Also Known As: Metethoheptazine, 1-benzoyl-1-oximinoacetone, 2-hydroxyimino-1-phenylbutane-1,3-dione, 1-Phenyl-1,2,3-butanetrione 2-oxime, 2-oximino-1-phenyl-1,3-butanedione
| Molecular Formula | C10H9NO3 |
|---|---|
| Molecular Weight | 191.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 66.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05824 |
| Heavy Atoms | 14 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 6797-44-0 |
|---|---|
| SMILES | CC(=O)C(=C(C1=CC=CC=C1)O)N=O |
| InChIKey | UMQCXGGBHYGWTG-UHFFFAOYSA-N |
Product Overview
2-Hydroxyimino-1-phenylbutane-1,3-dione (CAS 6797-44-0), with molecular formula C10H9NO3 and molecular weight 191.06 g/mol. IUPAC: 4-hydroxy-3-nitroso-4-phenylbut-3-en-2-one.
Chemical Property Profile of 2-Hydroxyimino-1-phenylbutane-1,3-dione
Property Insights of 2-Hydroxyimino-1-phenylbutane-1,3-dione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxyimino-1-phenylbutane-1,3-dione. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxyimino-1-phenylbutane-1,3-dione. Following Lipinski's Rule of Five, 2-Hydroxyimino-1-phenylbutane-1,3-dione has 1 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 2-Hydroxyimino-1-phenylbutane-1,3-dione?
The CAS number of 2-Hydroxyimino-1-phenylbutane-1,3-dione is 6797-44-0.
What is the molecular formula of 2-Hydroxyimino-1-phenylbutane-1,3-dione?
The molecular formula of 2-Hydroxyimino-1-phenylbutane-1,3-dione is C10H9NO3.
What is the molecular weight of 2-Hydroxyimino-1-phenylbutane-1,3-dione?
The molecular weight of 2-Hydroxyimino-1-phenylbutane-1,3-dione is 191.06 g/mol.
Where can I buy 2-Hydroxyimino-1-phenylbutane-1,3-dione?
You can request a quote for 2-Hydroxyimino-1-phenylbutane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxyimino-1-phenylbutane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxyimino-1-phenylbutane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.