2-Oxime 2,3-butanedione
TL;DR: 2-Oxime 2,3-butanedione (CAS 110828-81-4) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.047676 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxyiminobutan-2-one
Also Known As: Diacetyl monoxime, Diacetylmonoxime, 2,3-butanedione monoxime, Biacetyl monoxime, Biacetyl monooxime
Technical Specifications
| Molecular Formula | C4H7NO2 |
| Molecular Weight | 101.047676 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.047676 Da |
| Heavy Atoms | 7 |
| Complexity | 106.0 |
| SMILES | CC(=NO)C(=O)C |
| InChIKey | FSEUPUDHEBLWJY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Oxime 2,3-butanedione
Property Insights of 2-Oxime 2,3-butanedione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxime 2,3-butanedione. With a topological polar surface area (TPSA) of 49.7 Ų, 2-Oxime 2,3-butanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxime 2,3-butanedione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Oxime 2,3-butanedione?
The CAS number of 2-Oxime 2,3-butanedione is 110828-81-4.
What is the molecular formula of 2-Oxime 2,3-butanedione?
The molecular formula of 2-Oxime 2,3-butanedione is C4H7NO2.
What is the molecular weight of 2-Oxime 2,3-butanedione?
The molecular weight of 2-Oxime 2,3-butanedione is 101.047676 g/mol.
Where can I buy 2-Oxime 2,3-butanedione?
You can request a quote for 2-Oxime 2,3-butanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Oxime 2,3-butanedione?
Yes, CoreyChem provides custom synthesis services for 2-Oxime 2,3-butanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.