3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one
TL;DR: 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one (CAS 26476-37-9) is a chemical compound with molecular formula C21H23NO and molecular weight 305.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(N-benzylanilino)-5,5-dimethylcyclohex-2-en-1-one
Also Known As: 3-(benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one, 3-(N-benzylanilino)-5,5-dimethylcyclohex-2-en-1-one, AR-360/42760627
| Molecular Formula | C21H23NO |
|---|---|
| Molecular Weight | 305.18 g/mol |
| LogP | 4.9662 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.17798 |
| Heavy Atoms | 23 |
| Complexity | 701.1361 |
Chemical Identifiers
| CAS Number | 26476-37-9 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)N(CC2=CC=CC=C2)C3=CC=CC=C3)C |
Product Overview
3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one (CAS 26476-37-9), with molecular formula C21H23NO and molecular weight 305.18 g/mol. IUPAC: 3-(N-benzylanilino)-5,5-dimethylcyclohex-2-en-1-one.
Chemical Property Profile of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one
Property Insights of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one
The XLogP value of 4.9662 indicates that 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one has 0 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-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one?
The CAS number of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one is 26476-37-9.
What is the molecular formula of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one?
The molecular formula of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one is C21H23NO.
What is the molecular weight of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one?
The molecular weight of 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one is 305.18 g/mol.
Where can I buy 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one?
You can request a quote for 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-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-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Benzylanilino)-5,5-dimethyl-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.