![[?]dione structure](/static/products/6264/62646-61-1.webp)
[?]dione
TL;DR: [?]dione (CAS 62646-61-1) is a chemical compound with molecular formula C18H16O4S2 and molecular weight 360.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,16-dioxa-2,3-dithiatricyclo[16.4.0.04,9]docosa-1(22),4,6,8,18,20-hexaene-10,17-dione
Also Known As: [?]dione|5H,12H-Dibenzo(c,g)(1,10,5,6)dioxadithiacyclotetradecin-5,12-dione, 7,8,9,10-tetrahydro-|7,8,9,10-Tetrahydro-5H,12H-dibenzo(c,g)(1,10,5,6)dioxadithiacyclotetradecine-5,12-dione|7,8,9,10-Tetrahydro-5H,12H-dibenzo[c,g][1,10,5,6]dioxadithiacyclotetradecine-5,12-dione|UNII-1QIQ187D5X|RefChem:199015|DTXCID00134192
| Molecular Formula | C18H16O4S2 |
|---|---|
| Molecular Weight | 360.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 360.049 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 62646-61-1 |
|---|---|
| SMILES | C1CCOC(=O)C2=CC=CC=C2SSC3=CC=CC=C3C(=O)OC1 |
| InChIKey | DZIPYMWHDHAQAP-UHFFFAOYSA-N |
Product Overview
[?]dione (CAS 62646-61-1), with molecular formula C18H16O4S2 and molecular weight 360.05 g/mol. IUPAC: 11,16-dioxa-2,3-dithiatricyclo[16.4.0.04,9]docosa-1(22),4,6,8,18,20-hexaene-10,17-dione.
Chemical Property Profile of [?]dione
Property Insights of [?]dione
The XLogP value of 4.2 indicates that [?]dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [?]dione. Following Lipinski's Rule of Five, [?]dione has 0 hydrogen bond donor(s) and 6 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 [?]dione?
The CAS number of [?]dione is 62646-61-1.
What is the molecular formula of [?]dione?
The molecular formula of [?]dione is C18H16O4S2.
What is the molecular weight of [?]dione?
The molecular weight of [?]dione is 360.05 g/mol.
Where can I buy [?]dione?
You can request a quote for [?]dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [?]dione?
Yes, KEHONG BIO provides custom synthesis services for [?]dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.