1,8-Diphenyloctane-1,3,6,8-tetrone
TL;DR: 1,8-Diphenyloctane-1,3,6,8-tetrone (CAS 57247-77-5) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-diphenyloctane-1,3,6,8-tetrone
Also Known As: 1,8-diphenyloctane-1,3,6,8-tetrone, 1,6-Dibenzoyl-2,5-diketohexan, KST-1B5758, 1,3,6,8-Octanetetrone,1,8-diphenyl-
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 57247-77-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)CCC(=O)CC(=O)C2=CC=CC=C2 |
| InChIKey | KMIUUDQKENYYMD-UHFFFAOYSA-N |
Product Overview
1,8-Diphenyloctane-1,3,6,8-tetrone (CAS 57247-77-5), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: 1,8-diphenyloctane-1,3,6,8-tetrone.
Chemical Property Profile of 1,8-Diphenyloctane-1,3,6,8-tetrone
Property Insights of 1,8-Diphenyloctane-1,3,6,8-tetrone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Diphenyloctane-1,3,6,8-tetrone. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Diphenyloctane-1,3,6,8-tetrone. Following Lipinski's Rule of Five, 1,8-Diphenyloctane-1,3,6,8-tetrone has 0 hydrogen bond donor(s) and 4 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 1,8-Diphenyloctane-1,3,6,8-tetrone?
The CAS number of 1,8-Diphenyloctane-1,3,6,8-tetrone is 57247-77-5.
What is the molecular formula of 1,8-Diphenyloctane-1,3,6,8-tetrone?
The molecular formula of 1,8-Diphenyloctane-1,3,6,8-tetrone is C20H18O4.
What is the molecular weight of 1,8-Diphenyloctane-1,3,6,8-tetrone?
The molecular weight of 1,8-Diphenyloctane-1,3,6,8-tetrone is 322.12 g/mol.
Where can I buy 1,8-Diphenyloctane-1,3,6,8-tetrone?
You can request a quote for 1,8-Diphenyloctane-1,3,6,8-tetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Diphenyloctane-1,3,6,8-tetrone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Diphenyloctane-1,3,6,8-tetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.