4-Phenyl-3-methyl-3-buten-2-on-oxim
TL;DR: 4-Phenyl-3-methyl-3-buten-2-on-oxim (CAS 5460-65-1) 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.
N-(3-methyl-4-phenylbut-3-en-2-ylidene)hydroxylamine
Also Known As: Maybridge4_003045, 4-Phenyl-3-methyl-3-buten-2-on-oxim, 3-Methyl-4-phenylbut-3-en-2-one oxime, N-(3-methyl-4-phenylbut-3-en-2-ylidene)hydroxylamine, (NE)-N-(3-methyl-4-phenyl-but-3-en-2-ylidene)hydroxylamine
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 5460-65-1 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)C(=NO)C |
| InChIKey | RPCAQDVUXPFSNA-UHFFFAOYSA-N |
Product Overview
4-Phenyl-3-methyl-3-buten-2-on-oxim (CAS 5460-65-1), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: N-(3-methyl-4-phenylbut-3-en-2-ylidene)hydroxylamine.
Chemical Property Profile of 4-Phenyl-3-methyl-3-buten-2-on-oxim
Property Insights of 4-Phenyl-3-methyl-3-buten-2-on-oxim
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenyl-3-methyl-3-buten-2-on-oxim. With a topological polar surface area (TPSA) of 32.6 Ų, 4-Phenyl-3-methyl-3-buten-2-on-oxim exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-3-methyl-3-buten-2-on-oxim 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 4-Phenyl-3-methyl-3-buten-2-on-oxim?
The CAS number of 4-Phenyl-3-methyl-3-buten-2-on-oxim is 5460-65-1.
What is the molecular formula of 4-Phenyl-3-methyl-3-buten-2-on-oxim?
The molecular formula of 4-Phenyl-3-methyl-3-buten-2-on-oxim is C11H13NO.
What is the molecular weight of 4-Phenyl-3-methyl-3-buten-2-on-oxim?
The molecular weight of 4-Phenyl-3-methyl-3-buten-2-on-oxim is 175.10 g/mol.
Where can I buy 4-Phenyl-3-methyl-3-buten-2-on-oxim?
You can request a quote for 4-Phenyl-3-methyl-3-buten-2-on-oxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-3-methyl-3-buten-2-on-oxim?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-3-methyl-3-buten-2-on-oxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.