3-Methyl-4-phenyl-3-buten-2-one oxime
TL;DR: 3-Methyl-4-phenyl-3-buten-2-one oxime (CAS 21791-89-9) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NE)-N-[(E)-3-methyl-4-phenylbut-3-en-2-ylidene]hydroxylamine
Also Known As: alpha-Methylbenzylideneacetone oxime, 3-Methyl-4-phenyl-3-buten-2-one oxime, 3-Buten-2-one, 3-methyl-4-phenyl-, oxime, .ALPHA.-METHYLBENZYLIDENEACETONE OXIME, 4-phenyl-3-methyl-3-butene-2-one oxime
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.94 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 325.20334 |
Chemical Identifiers
| CAS Number | 21791-89-9 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C(=N/O)/C |
Product Overview
3-Methyl-4-phenyl-3-buten-2-one oxime (CAS 21791-89-9), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: (NE)-N-[(E)-3-methyl-4-phenylbut-3-en-2-ylidene]hydroxylamine.
Chemical Property Profile of 3-Methyl-4-phenyl-3-buten-2-one oxime
Property Insights of 3-Methyl-4-phenyl-3-buten-2-one oxime
The XLogP value of 2.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenyl-3-buten-2-one oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Methyl-4-phenyl-3-buten-2-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-3-buten-2-one oxime has 1 hydrogen bond donor(s) and 2 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-Methyl-4-phenyl-3-buten-2-one oxime?
The CAS number of 3-Methyl-4-phenyl-3-buten-2-one oxime is 21791-89-9.
What is the molecular formula of 3-Methyl-4-phenyl-3-buten-2-one oxime?
The molecular formula of 3-Methyl-4-phenyl-3-buten-2-one oxime is C11H13NO.
What is the molecular weight of 3-Methyl-4-phenyl-3-buten-2-one oxime?
The molecular weight of 3-Methyl-4-phenyl-3-buten-2-one oxime is 175.10 g/mol.
Where can I buy 3-Methyl-4-phenyl-3-buten-2-one oxime?
You can request a quote for 3-Methyl-4-phenyl-3-buten-2-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-3-buten-2-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-3-buten-2-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.