![[?]dione structure](/static/products/815/81559-83-3.png)
[?]dione
TL;DR: [?]dione (CAS 81559-83-3) is a chemical compound with molecular formula C16H8N4O2S and molecular weight 320.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione
Also Known As: [?]dione|12H,15H-thiadiazolo|12-Thia-5a,5b,11,13-tetraaza-dibenzo[b,h]fluorene-5,6-dione|12H,15H-[1,3,4]Thiadiazolo[2,3-b:5,4-b']diquinazoline-12,15-dione|12h,15h-1,3,4-thiadiazolo[2,3-b:5,4-b']diquinazoline-12,15-dione|12-Thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione
| Molecular Formula | C16H8N4O2S |
|---|---|
| Molecular Weight | 320.04 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 90.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.0368 |
| Heavy Atoms | 23 |
| Complexity | 592.0 |
Chemical Identifiers
| CAS Number | 81559-83-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N3C(=N2)SC4=NC5=CC=CC=C5C(=O)N43 |
| InChIKey | ODPZHWIKNIZNGO-UHFFFAOYSA-N |
Product Overview
[?]dione (CAS 81559-83-3), with molecular formula C16H8N4O2S and molecular weight 320.04 g/mol. IUPAC: 12-thia-1,2,10,14-tetrazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-4,6,8,10,13,15,17,19-octaene-3,21-dione.
Chemical Property Profile of [?]dione
Property Insights of [?]dione
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [?]dione. The TPSA of 90.6 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 5 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 81559-83-3.
What is the molecular formula of [?]dione?
The molecular formula of [?]dione is C16H8N4O2S.
What is the molecular weight of [?]dione?
The molecular weight of [?]dione is 320.04 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.