![Phenol, 2-[[(1-methylethyl)imino]methyl]- structure](/static/products/5961/5961-35-3.webp)
Phenol, 2-[[(1-methylethyl)imino]methyl]-
TL;DR: Phenol, 2-[[(1-methylethyl)imino]methyl]- (CAS 5961-35-3) 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.
2-(propan-2-yliminomethyl)phenol
Also Known As: salicylideneisopropylamine, n-isopropylsalicylaldimine, N-Isopropylsalicylideneamine, N-(Salicylidene)-isopropylamine, N-Salicylidenepropane-2-amine
| Molecular Formula | C10H13NO |
|---|---|
| Molecular Weight | 163.10 g/mol |
| LogP | 2.1 |
| 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 | 154.0 |
Chemical Identifiers
| CAS Number | 5961-35-3 |
|---|---|
| SMILES | CC(C)N=CC1=CC=CC=C1O |
| InChIKey | PHHCWZIPEJJCOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 2-[[(1-methylethyl)imino]methyl]- (CAS 5961-35-3), with molecular formula C10H13NO and molecular weight 163.10 g/mol. IUPAC: 2-(propan-2-yliminomethyl)phenol.
Chemical Property Profile of Phenol, 2-[[(1-methylethyl)imino]methyl]-
Property Insights of Phenol, 2-[[(1-methylethyl)imino]methyl]-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenol, 2-[[(1-methylethyl)imino]methyl]-. With a topological polar surface area (TPSA) of 32.6 Ų, Phenol, 2-[[(1-methylethyl)imino]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenol, 2-[[(1-methylethyl)imino]methyl]- 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 Phenol, 2-[[(1-methylethyl)imino]methyl]-?
The CAS number of Phenol, 2-[[(1-methylethyl)imino]methyl]- is 5961-35-3.
What is the molecular formula of Phenol, 2-[[(1-methylethyl)imino]methyl]-?
The molecular formula of Phenol, 2-[[(1-methylethyl)imino]methyl]- is C10H13NO.
What is the molecular weight of Phenol, 2-[[(1-methylethyl)imino]methyl]-?
The molecular weight of Phenol, 2-[[(1-methylethyl)imino]methyl]- is 163.10 g/mol.
Where can I buy Phenol, 2-[[(1-methylethyl)imino]methyl]-?
You can request a quote for Phenol, 2-[[(1-methylethyl)imino]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 2-[[(1-methylethyl)imino]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 2-[[(1-methylethyl)imino]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.