1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione
TL;DR: 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione (CAS 72652-41-6) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,16-dimethoxytricyclo[9.2.2.14,8]hexadeca-1(13),4,6,8(16),11(15)-pentaene-12,14-dione
Also Known As: 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione, 6,16-Dimethoxytricyclo[9.2.2.14,8]hexadeca-1(13),4,6,8(16),11(15)-pentaene-12,14-dione
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 487.0 |
Chemical Identifiers
| CAS Number | 72652-41-6 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)CCC3=CC(=O)C(=CC3=O)CC2)OC |
| InChIKey | MRIKIOCPJWLPIP-UHFFFAOYSA-N |
Product Overview
1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione (CAS 72652-41-6), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 6,16-dimethoxytricyclo[9.2.2.14,8]hexadeca-1(13),4,6,8(16),11(15)-pentaene-12,14-dione.
Chemical Property Profile of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione
Property Insights of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione 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 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione?
The CAS number of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione is 72652-41-6.
What is the molecular formula of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione?
The molecular formula of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione is C18H18O4.
What is the molecular weight of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione?
The molecular weight of 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione is 298.12 g/mol.
Where can I buy 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione?
You can request a quote for 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione?
Yes, KEHONG BIO provides custom synthesis services for 1~2~,1~5~-Dimethoxy-1(1,3)-benzena-4(1,4)-cyclohexanacyclohexaphane-4~1~(4~6~),4~3~-diene-4~2~,4~5~-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.