3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
TL;DR: 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 53250-34-3) 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.
3,7-dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Also Known As: 3,7-dibenzyl-tropolone, 3,7-dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one, 2,4,6-Cycloheptatrien-1-one,2-hydroxy-3,7-bis(phenylmethyl)-
| Molecular Formula | C21H18O2 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.13068 |
| Heavy Atoms | 23 |
| Complexity | 512.0 |
Chemical Identifiers
| CAS Number | 53250-34-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=C(C(=O)C(=CC=C2)CC3=CC=CC=C3)O |
| InChIKey | ZGDWVGFIBZKRNK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one (CAS 53250-34-3), with molecular formula C21H18O2 and molecular weight 302.13 g/mol. IUPAC: 3,7-dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
Property Insights of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
The XLogP value of 4.9 indicates that 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-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 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The CAS number of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one is 53250-34-3.
What is the molecular formula of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular formula of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one is C21H18O2.
What is the molecular weight of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
The molecular weight of 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one is 302.13 g/mol.
Where can I buy 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
You can request a quote for 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3,7-Dibenzyl-2-hydroxycyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.