3-Benzylamino-5-p-tolyl-cyclohex-2-enone
TL;DR: 3-Benzylamino-5-p-tolyl-cyclohex-2-enone (CAS 6401-56-5) is a chemical compound with molecular formula C20H21NO and molecular weight 291.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylamino)-5-(4-methylphenyl)cyclohex-2-en-1-one
Also Known As: 3-Benzylamino-5-p-tolyl-cyclohex-2-enone, BAS 02927182, 3-(benzylamino)-5-(4-methylphenyl)cyclohex-2-en-1-one, 3-(benzylamino)-5-(4-methylphenyl)-2-cyclohexen-1-one, 5-(Benzylamino)-4'-methyl-1,6-dihydro[1,1'-biphenyl]-3(2H)-one
| Molecular Formula | C20H21NO |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 4.11522 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.16232 |
| Heavy Atoms | 22 |
| Complexity | 670.6132 |
Chemical Identifiers
| CAS Number | 6401-56-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2CC(=CC(=O)C2)NCC3=CC=CC=C3 |
Product Overview
3-Benzylamino-5-p-tolyl-cyclohex-2-enone (CAS 6401-56-5), with molecular formula C20H21NO and molecular weight 291.16 g/mol. IUPAC: 3-(benzylamino)-5-(4-methylphenyl)cyclohex-2-en-1-one.
Chemical Property Profile of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone
Property Insights of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone
The XLogP value of 4.11522 indicates that 3-Benzylamino-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-Benzylamino-5-p-tolyl-cyclohex-2-enone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzylamino-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-Benzylamino-5-p-tolyl-cyclohex-2-enone?
The CAS number of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone is 6401-56-5.
What is the molecular formula of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone?
The molecular formula of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone is C20H21NO.
What is the molecular weight of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone?
The molecular weight of 3-Benzylamino-5-p-tolyl-cyclohex-2-enone is 291.16 g/mol.
Where can I buy 3-Benzylamino-5-p-tolyl-cyclohex-2-enone?
You can request a quote for 3-Benzylamino-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-Benzylamino-5-p-tolyl-cyclohex-2-enone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzylamino-5-p-tolyl-cyclohex-2-enone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.