1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone
TL;DR: 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone (CAS 58330-12-4) is a chemical compound with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-6-phenylhexane-1,3,4,6-tetrone
Also Known As: 1-6-phenyl-1,3,4,6-hexanetetrone, 1- -6-phenyl-1,3,4,6-hexanetetrone, 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone, 1-(4-chlorophenyl)-6-phenylhexane-1,3,4,6-tetrone, 1,3,4,6-Hexanetetrone, 1-(4-chlorophenyl)-6-phenyl-
| Molecular Formula | C18H13ClO4 |
|---|---|
| Molecular Weight | 328.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 68.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 328.05023 |
| Heavy Atoms | 23 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 58330-12-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(=O)C(=O)CC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | QURDAVPFEYJKDO-UHFFFAOYSA-N |
Product Overview
1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone (CAS 58330-12-4), with molecular formula C18H13ClO4 and molecular weight 328.05 g/mol. IUPAC: 1-(4-chlorophenyl)-6-phenylhexane-1,3,4,6-tetrone.
Chemical Property Profile of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone
Property Insights of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone
The XLogP value of 3.2 indicates that 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone 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-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone?
The CAS number of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone is 58330-12-4.
What is the molecular formula of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone?
The molecular formula of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone is C18H13ClO4.
What is the molecular weight of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone?
The molecular weight of 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone is 328.05 g/mol.
Where can I buy 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone?
You can request a quote for 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-6-phenyl-1,3,4,6-hexanetetrone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.