3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one
TL;DR: 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one (CAS 780786-30-3) is a chemical compound with molecular formula C22H23NO and molecular weight 317.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one
Also Known As: (E/Z)-BCI, (E)-BCI, NCI60_001042, Dual Specificity Protein Phosphatase 1/6 Inhibitor, 2-Benzylidene-3-cyclohexylamino-indan-1-one
| Molecular Formula | C22H23NO |
|---|---|
| Molecular Weight | 317.18 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.17798 |
| Heavy Atoms | 24 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 780786-30-3 |
|---|---|
| SMILES | C1CCC(CC1)NC2C3=CC=CC=C3C(=O)C2=CC4=CC=CC=C4 |
| InChIKey | XJDKPLZUXCIMIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one (CAS 780786-30-3), with molecular formula C22H23NO and molecular weight 317.18 g/mol. IUPAC: 2-benzylidene-3-(cyclohexylamino)-3H-inden-1-one.
Chemical Property Profile of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one
Property Insights of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one
The XLogP value of 4.7 indicates that 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-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-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-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-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one?
The CAS number of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one is 780786-30-3.
What is the molecular formula of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one?
The molecular formula of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one is C22H23NO.
What is the molecular weight of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one?
The molecular weight of 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one is 317.18 g/mol.
Where can I buy 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one?
You can request a quote for 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-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-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(cyclohexylamino)-2-(phenylmethylene)-3H-inden-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.