3-Isobutylamino-5-p-tolyl-cyclohex-2-enone
TL;DR: 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone (CAS 333325-95-4) is a chemical compound with molecular formula C17H23NO and molecular weight 257.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methylphenyl)-3-(2-methylpropylamino)cyclohex-2-en-1-one
Also Known As: 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone, BAS 02232288, 5-(4-methylphenyl)-3-(2-methylpropylamino)cyclohex-2-en-1-one, 5-(4-methylphenyl)-3-[(2-methylpropyl)amino]cyclohex-2-en-1-one, 3-(ISOBUTYLAMINO)-5-(4-METHYLPHENYL)-2-CYCLOHEXEN-1-ONE
| Molecular Formula | C17H23NO |
|---|---|
| Molecular Weight | 257.18 g/mol |
| LogP | 3.57102 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.17798 |
| Heavy Atoms | 19 |
| Complexity | 470.54037 |
Chemical Identifiers
| CAS Number | 333325-95-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC(C)C |
Product Overview
3-Isobutylamino-5-p-tolyl-cyclohex-2-enone (CAS 333325-95-4), with molecular formula C17H23NO and molecular weight 257.18 g/mol. IUPAC: 5-(4-methylphenyl)-3-(2-methylpropylamino)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone
Property Insights of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone
The XLogP value of 3.57102 indicates that 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone 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-Isobutylamino-5-p-tolyl-cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone 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-Isobutylamino-5-p-tolyl-cyclohex-2-enone?
The CAS number of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone is 333325-95-4.
What is the molecular formula of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone?
The molecular formula of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone is C17H23NO.
What is the molecular weight of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone?
The molecular weight of 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone is 257.18 g/mol.
Where can I buy 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone?
You can request a quote for 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 3-Isobutylamino-5-p-tolyl-cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.