2,7-Dibenzylidene cycloheptanone
TL;DR: 2,7-Dibenzylidene cycloheptanone (CAS 62085-48-7) is a chemical compound with molecular formula C21H20O and molecular weight 288.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,7-dibenzylidenecycloheptan-1-one
Also Known As: 2,7-dibenzylidene cycloheptanone, 2,7-dibenzylidenecycloheptan-1-one, NCI60_017326, Cycloheptanone, 2,7-bis(phenylmethylene)-, (E,E)-
| Molecular Formula | C21H20O |
|---|---|
| Molecular Weight | 288.15 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.15143 |
| Heavy Atoms | 22 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 62085-48-7 |
|---|---|
| SMILES | C1CCC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1 |
| InChIKey | CDWCNIVDIALVDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,7-Dibenzylidene cycloheptanone (CAS 62085-48-7), with molecular formula C21H20O and molecular weight 288.15 g/mol. IUPAC: 2,7-dibenzylidenecycloheptan-1-one.
Chemical Property Profile of 2,7-Dibenzylidene cycloheptanone
Property Insights of 2,7-Dibenzylidene cycloheptanone
The XLogP value of 5.6 indicates that 2,7-Dibenzylidene cycloheptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,7-Dibenzylidene cycloheptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,7-Dibenzylidene cycloheptanone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,7-Dibenzylidene cycloheptanone?
The CAS number of 2,7-Dibenzylidene cycloheptanone is 62085-48-7.
What is the molecular formula of 2,7-Dibenzylidene cycloheptanone?
The molecular formula of 2,7-Dibenzylidene cycloheptanone is C21H20O.
What is the molecular weight of 2,7-Dibenzylidene cycloheptanone?
The molecular weight of 2,7-Dibenzylidene cycloheptanone is 288.15 g/mol.
Where can I buy 2,7-Dibenzylidene cycloheptanone?
You can request a quote for 2,7-Dibenzylidene cycloheptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,7-Dibenzylidene cycloheptanone?
Yes, KEHONG BIO provides custom synthesis services for 2,7-Dibenzylidene cycloheptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.