3,7-Dibenzylidene-1,2-cycloheptanedione
TL;DR: 3,7-Dibenzylidene-1,2-cycloheptanedione (CAS 102477-89-4) is a chemical compound with molecular formula C21H18O2 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3E,7Z)-3,7-dibenzylidenecycloheptane-1,2-dione
Also Known As: 3,7-dibenzylidene-1,2-cycloheptanedione, BIM-0038054.P001, (3Z,7E)-3,7-dibenzylidenecycloheptane-1,2-dione, AE-848/09038044, (3E,7Z)-3,7-dibenzylidenecycloheptane-1,2-dione
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.4757 |
| Topological Polar Surface Area | 34.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 700.5036 |
Chemical Identifiers
| CAS Number | 102477-89-4 |
|---|---|
| SMILES | C1C/C(=C\C2=CC=CC=C2)/C(=O)C(=O)/C(=C\C3=CC=CC=C3)/C1 |
Product Overview
3,7-Dibenzylidene-1,2-cycloheptanedione (CAS 102477-89-4), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: (3E,7Z)-3,7-dibenzylidenecycloheptane-1,2-dione.
Chemical Property Profile of 3,7-Dibenzylidene-1,2-cycloheptanedione
Property Insights of 3,7-Dibenzylidene-1,2-cycloheptanedione
The XLogP value of 4.4757 indicates that 3,7-Dibenzylidene-1,2-cycloheptanedione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.14 Ų, 3,7-Dibenzylidene-1,2-cycloheptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibenzylidene-1,2-cycloheptanedione 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 3,7-Dibenzylidene-1,2-cycloheptanedione?
The CAS number of 3,7-Dibenzylidene-1,2-cycloheptanedione is 102477-89-4.
What is the molecular formula of 3,7-Dibenzylidene-1,2-cycloheptanedione?
The molecular formula of 3,7-Dibenzylidene-1,2-cycloheptanedione is C21H18O2.
What is the molecular weight of 3,7-Dibenzylidene-1,2-cycloheptanedione?
The molecular weight of 3,7-Dibenzylidene-1,2-cycloheptanedione is 302.13 g/mol.
Where can I buy 3,7-Dibenzylidene-1,2-cycloheptanedione?
You can request a quote for 3,7-Dibenzylidene-1,2-cycloheptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dibenzylidene-1,2-cycloheptanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibenzylidene-1,2-cycloheptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.