4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime
TL;DR: 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime (CAS 175203-57-3) is a chemical compound with molecular formula C12H13NO2 and molecular weight 203.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(hydroxyiminomethyl)phenyl]-2-methylbut-3-yn-2-ol
Also Known As: Maybridge1_004831, 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime, 4-(2-phenyleth-1-ynyl)benzaldehyde oxime, 4-[4-(hydroxyiminomethyl)phenyl]-2-methylbut-3-yn-2-ol, 4-(3-hydroxy-3-methylbut-1-ynyl)benzaldehyde oxime
| Molecular Formula | C12H13NO2 |
|---|---|
| Molecular Weight | 203.09 g/mol |
| LogP | 1.6171 |
| Topological Polar Surface Area | 52.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.09464 |
| Heavy Atoms | 15 |
| Complexity | 401.97876 |
Chemical Identifiers
| CAS Number | 175203-57-3 |
|---|---|
| SMILES | CC(C)(C#CC1=CC=C(C=C1)C=NO)O |
Product Overview
4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime (CAS 175203-57-3), with molecular formula C12H13NO2 and molecular weight 203.09 g/mol. IUPAC: 4-[4-(hydroxyiminomethyl)phenyl]-2-methylbut-3-yn-2-ol.
Chemical Property Profile of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime
Property Insights of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime
The XLogP value of 1.6171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime. With a topological polar surface area (TPSA) of 52.82 Ų, 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime has 2 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 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime?
The CAS number of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime is 175203-57-3.
What is the molecular formula of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime?
The molecular formula of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime is C12H13NO2.
What is the molecular weight of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime?
The molecular weight of 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime is 203.09 g/mol.
Where can I buy 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime?
You can request a quote for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Hydroxy-3-methylbut-1-yn-1-yl)benzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.