![3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one structure](/static/products/5140/51408-72-1.webp)
3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one
TL;DR: 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one (CAS 51408-72-1) is a chemical compound with molecular formula C13H15NO and molecular weight 201.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methylanilino)cyclohex-2-en-1-one
Also Known As: 3-[(3-methylphenyl)amino]cyclohex-2-en-1-one, 3-(3-methylanilino)cyclohex-2-en-1-one, 3-(m-Tolylamino)cyclohex-2-enone, 3-(M-tolylamino)cyclohex-2-en-1-one, 3-m-Tolylamino-cyclohex-2-enone
| Molecular Formula | C13H15NO |
|---|---|
| Molecular Weight | 201.12 g/mol |
| LogP | 3.04382 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 201.11537 |
| Heavy Atoms | 15 |
| Complexity | 406.75192 |
Chemical Identifiers
| CAS Number | 51408-72-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CC(=O)CCC2 |
Product Overview
3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one (CAS 51408-72-1), with molecular formula C13H15NO and molecular weight 201.12 g/mol. IUPAC: 3-(3-methylanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one
Property Insights of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one
The XLogP value of 3.04382 indicates that 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one 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 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one?
The CAS number of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one is 51408-72-1.
What is the molecular formula of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one?
The molecular formula of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one is C13H15NO.
What is the molecular weight of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one?
The molecular weight of 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one is 201.12 g/mol.
Where can I buy 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one?
You can request a quote for 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3-Methylphenyl)amino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.