4-(1-Methylethyl)benzaldehyde oxime
TL;DR: 4-(1-Methylethyl)benzaldehyde oxime (CAS 13372-80-0) is a chemical compound with molecular formula C10H13NO and molecular weight 163.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-propan-2-ylphenyl)methylidene]hydroxylamine
Also Known As: cumaldehyde oxime, 4-isopropylbenzaldoxime, 4-(Isopropyl)benzaldehyde oxime, 4-Isopropylbenzaldehydeoxime, 4-Isopropyl-benzaldehyd-oxim
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.09972 |
| Heavy Atoms | 12 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 13372-80-0 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C=NO |
| InChIKey | NVKXBDITZDURNJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Methylethyl)benzaldehyde oxime (CAS 13372-80-0), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: N-[(4-propan-2-ylphenyl)methylidene]hydroxylamine.
Chemical Property Profile of 4-(1-Methylethyl)benzaldehyde oxime
Property Insights of 4-(1-Methylethyl)benzaldehyde oxime
The XLogP value of 3.2 indicates that 4-(1-Methylethyl)benzaldehyde oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.6 Ų, 4-(1-Methylethyl)benzaldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Methylethyl)benzaldehyde 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 4-(1-Methylethyl)benzaldehyde oxime?
The CAS number of 4-(1-Methylethyl)benzaldehyde oxime is 13372-80-0.
What is the molecular formula of 4-(1-Methylethyl)benzaldehyde oxime?
The molecular formula of 4-(1-Methylethyl)benzaldehyde oxime is C10H13NO.
What is the molecular weight of 4-(1-Methylethyl)benzaldehyde oxime?
The molecular weight of 4-(1-Methylethyl)benzaldehyde oxime is 163.10 g/mol.
Where can I buy 4-(1-Methylethyl)benzaldehyde oxime?
You can request a quote for 4-(1-Methylethyl)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-(1-Methylethyl)benzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Methylethyl)benzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.