5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one
TL;DR: 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one (CAS 433240-06-3) is a chemical compound with molecular formula C20H21NO2 and molecular weight 307.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-3-(4-phenoxyanilino)cyclohex-2-en-1-one
Also Known As: 5,5-dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one, 5,5-dimethyl-3-(4-phenoxyanilino)cyclohex-2-en-1-one, AO-081/40768732, 5,5-dimethyl-3-[(4-phenoxyphenyl)amino]cyclohex-2-en-1-one
| Molecular Formula | C20H21NO2 |
|---|---|
| Molecular Weight | 307.16 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.15723 |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 433240-06-3 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NC2=CC=C(C=C2)OC3=CC=CC=C3)C |
| InChIKey | YBHYRSSMNUDGQM-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one (CAS 433240-06-3), with molecular formula C20H21NO2 and molecular weight 307.16 g/mol. IUPAC: 5,5-dimethyl-3-(4-phenoxyanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one
Property Insights of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one
The XLogP value of 4.5 indicates that 5,5-Dimethyl-3-(4-phenoxyanilino)-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 38.3 Ų, 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one has 1 hydrogen bond donor(s) and 3 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 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one?
The CAS number of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one is 433240-06-3.
What is the molecular formula of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one?
The molecular formula of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one is C20H21NO2.
What is the molecular weight of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one?
The molecular weight of 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one is 307.16 g/mol.
Where can I buy 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one?
You can request a quote for 5,5-Dimethyl-3-(4-phenoxyanilino)-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 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-3-(4-phenoxyanilino)-2-cyclohexen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.