butane-2,3-dione mono-(O-methyl oxime)
TL;DR: butane-2,3-dione mono-(O-methyl oxime) (CAS 617-32-3) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxyiminobutan-2-one
Also Known As: 3-methoxyiminobutan-2-one, 3-(methoxyimino)butan-2-one, butane-2,3-dione mono-(O-methyl oxime), 2,3-Butanedione, mono(O-methyloxime) (8CI,9CI)
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 617-32-3 |
|---|---|
| SMILES | CC(=NOC)C(=O)C |
| InChIKey | LBTXDQOSJLEDQM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
butane-2,3-dione mono-(O-methyl oxime) (CAS 617-32-3), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 3-methoxyiminobutan-2-one.
Chemical Property Profile of butane-2,3-dione mono-(O-methyl oxime)
Property Insights of butane-2,3-dione mono-(O-methyl oxime)
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butane-2,3-dione mono-(O-methyl oxime). With a topological polar surface area (TPSA) of 38.7 Ų, butane-2,3-dione mono-(O-methyl oxime) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butane-2,3-dione mono-(O-methyl oxime) has 0 hydrogen bond donor(s) and 3 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 butane-2,3-dione mono-(O-methyl oxime)?
The CAS number of butane-2,3-dione mono-(O-methyl oxime) is 617-32-3.
What is the molecular formula of butane-2,3-dione mono-(O-methyl oxime)?
The molecular formula of butane-2,3-dione mono-(O-methyl oxime) is C5H9NO2.
What is the molecular weight of butane-2,3-dione mono-(O-methyl oxime)?
The molecular weight of butane-2,3-dione mono-(O-methyl oxime) is 115.06 g/mol.
Where can I buy butane-2,3-dione mono-(O-methyl oxime)?
You can request a quote for butane-2,3-dione mono-(O-methyl oxime) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butane-2,3-dione mono-(O-methyl oxime)?
Yes, KEHONG BIO provides custom synthesis services for butane-2,3-dione mono-(O-methyl oxime) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.