3-Pentenal oxime, 4-methyl-2-oxo-
TL;DR: 3-Pentenal oxime, 4-methyl-2-oxo- (CAS 73771-57-0) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxyimino-4-methylpent-3-en-2-one
Also Known As: Isonitrosomesityl oxide, 4-methyl-2-oxo-pent-3-enal oxime, 3-Pentenal oxime, 4-methyl-2-oxo-, 4-Methyl-3-penten-1,2-dione 1-oxime, 3-Pentenal, 4-methyl-2-oxo-, 1-oxime
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | 0.9817 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 154.4408 |
Chemical Identifiers
| CAS Number | 73771-57-0 |
|---|---|
| SMILES | CC(=CC(=O)C=NO)C |
Product Overview
3-Pentenal oxime, 4-methyl-2-oxo- (CAS 73771-57-0), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 1-hydroxyimino-4-methylpent-3-en-2-one.
Chemical Property Profile of 3-Pentenal oxime, 4-methyl-2-oxo-
Property Insights of 3-Pentenal oxime, 4-methyl-2-oxo-
The XLogP value of 0.9817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pentenal oxime, 4-methyl-2-oxo-. With a topological polar surface area (TPSA) of 49.66 Ų, 3-Pentenal oxime, 4-methyl-2-oxo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pentenal oxime, 4-methyl-2-oxo- 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
Frequently Asked Questions
What is the CAS number of 3-Pentenal oxime, 4-methyl-2-oxo-?
The CAS number of 3-Pentenal oxime, 4-methyl-2-oxo- is 73771-57-0.
What is the molecular formula of 3-Pentenal oxime, 4-methyl-2-oxo-?
The molecular formula of 3-Pentenal oxime, 4-methyl-2-oxo- is C6H9NO2.
What is the molecular weight of 3-Pentenal oxime, 4-methyl-2-oxo-?
The molecular weight of 3-Pentenal oxime, 4-methyl-2-oxo- is 127.06 g/mol.
Where can I buy 3-Pentenal oxime, 4-methyl-2-oxo-?
You can request a quote for 3-Pentenal oxime, 4-methyl-2-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pentenal oxime, 4-methyl-2-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 3-Pentenal oxime, 4-methyl-2-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.