![4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one structure](/static/products/5418/5418-37-1.webp)
4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one
TL;DR: 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one (CAS 5418-37-1) is a chemical compound with molecular formula C13H11NO2 and molecular weight 213.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-hydroxy-3-methylphenyl)iminocyclohexa-2,5-dien-1-one
Also Known As: J1.406.114B, 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one, N-(4-Hydroxy-3-methylphenyl)-p-benzoquinone monoimine, 4-(4-hydroxy-3-methylphenyl)iminocyclohexa-2,5-dien-1-one, 4-(4-hydroxy-3-methyl-phenyl)iminocyclohexa-2,5-dien-1-one
| Molecular Formula | C13H11NO2 |
|---|---|
| Molecular Weight | 213.08 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.07898 |
| Heavy Atoms | 16 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 5418-37-1 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)N=C2C=CC(=O)C=C2)O |
| InChIKey | AHRBKLAMEDLRHI-UHFFFAOYSA-N |
Product Overview
4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one (CAS 5418-37-1), with molecular formula C13H11NO2 and molecular weight 213.08 g/mol. IUPAC: 4-(4-hydroxy-3-methylphenyl)iminocyclohexa-2,5-dien-1-one.
Chemical Property Profile of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one
Property Insights of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one. With a topological polar surface area (TPSA) of 49.7 Ų, 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one has 1 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-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one?
The CAS number of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one is 5418-37-1.
What is the molecular formula of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one?
The molecular formula of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one is C13H11NO2.
What is the molecular weight of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one?
The molecular weight of 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one is 213.08 g/mol.
Where can I buy 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one?
You can request a quote for 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4-Hydroxy-3-methylphenyl)imino]cyclohexa-2,5-dien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.