![dimethyl[?]trione structure](/static/products/205/205309-93-9.png)
dimethyl[?]trione
TL;DR: dimethyl[?]trione (CAS 205309-93-9) is a chemical compound with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13,15-dimethyl-2-thia-4,10,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11(16)-pentaene-9,12,14-trione
Also Known As: dimethyl[?]trione, NCI60_032245, 1,3-Dimethyl-1,3,4b,9,11-pentaaza-10-thia-5H-benzo[b]fluorene-2(1H),4(3H),5-trione, 1,3-Dimethyl-6H-pyrido[3',2':5,6][1,3]thiazino[2,3-f]purine-2,4,6(1H,3H)-trione, 6H-Pyrido[3,2:5,6][1,3]thiazino[2,3-f]purine-2,4,6(1H,3H)-trione, 1,3-dimethyl-
| Molecular Formula | C13H9N5O3S |
|---|---|
| Molecular Weight | 315.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.0426 |
| Heavy Atoms | 22 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 205309-93-9 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=C(N=CC=C4)SC3=N2 |
| InChIKey | UWMDPWAAWFXFPH-UHFFFAOYSA-N |
Product Overview
dimethyl[?]trione (CAS 205309-93-9), with molecular formula C13H9N5O3S and molecular weight 315.04 g/mol. IUPAC: 13,15-dimethyl-2-thia-4,10,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(17),3(8),4,6,11(16)-pentaene-9,12,14-trione.
Chemical Property Profile of dimethyl[?]trione
Property Insights of dimethyl[?]trione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl[?]trione. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl[?]trione. Following Lipinski's Rule of Five, dimethyl[?]trione 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 dimethyl[?]trione?
The CAS number of dimethyl[?]trione is 205309-93-9.
What is the molecular formula of dimethyl[?]trione?
The molecular formula of dimethyl[?]trione is C13H9N5O3S.
What is the molecular weight of dimethyl[?]trione?
The molecular weight of dimethyl[?]trione is 315.04 g/mol.
Where can I buy dimethyl[?]trione?
You can request a quote for dimethyl[?]trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for dimethyl[?]trione?
Yes, KEHONG BIO provides custom synthesis services for dimethyl[?]trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.