![2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- structure](/static/products/6793/67931-49-1.webp)
2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-
TL;DR: 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- (CAS 67931-49-1) is a chemical compound with molecular formula C14H13NO and molecular weight 211.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylanilino)cyclohepta-2,4,6-trien-1-one
Also Known As: 2-o-Toluidinotropon, 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-, 2-(2-methylanilino)cyclohepta-2,4,6-trien-1-one, 2-[(2-methylphenyl)amino]cyclohepta-2,4,6-trien-1-one, J1.937.356H
| Molecular Formula | C14H13NO |
|---|---|
| Molecular Weight | 211.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.09972 |
| Heavy Atoms | 16 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 67931-49-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC2=CC=CC=CC2=O |
| InChIKey | PURYTKOSBKIWTB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- (CAS 67931-49-1), with molecular formula C14H13NO and molecular weight 211.10 g/mol. IUPAC: 2-(2-methylanilino)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-
Property Insights of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-
The XLogP value of 3.7 indicates that 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- 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 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-?
The CAS number of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- is 67931-49-1.
What is the molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-?
The molecular formula of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- is C14H13NO.
What is the molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-?
The molecular weight of 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- is 211.10 g/mol.
Where can I buy 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-?
You can request a quote for 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]-?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatrien-1-one, 2-[(2-methylphenyl)amino]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.