5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-
TL;DR: 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- (CAS 148989-45-1) is a chemical compound with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione
Also Known As: BAS 07418424, 7,9-dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione, 2,4-Dimethyl-5H-9-thia-1,5,7-triaza-fluorene-6,8-dione, A3433/0145684, 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-
| Molecular Formula | C11H9N3O2S |
|---|---|
| Molecular Weight | 247.04 g/mol |
| LogP | 1.44294 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 247.04155 |
| Heavy Atoms | 17 |
| Complexity | 856.6361 |
Chemical Identifiers
| CAS Number | 148989-45-1 |
|---|---|
| SMILES | CC1=CC(=NC2=C1C3=C(S2)C(=O)NC(=O)N3)C |
Product Overview
5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- (CAS 148989-45-1), with molecular formula C11H9N3O2S and molecular weight 247.04 g/mol. IUPAC: 11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraene-4,6-dione.
Chemical Property Profile of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-
Property Insights of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-
The XLogP value of 1.44294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-. Following Lipinski's Rule of Five, 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- has 2 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 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-?
The CAS number of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- is 148989-45-1.
What is the molecular formula of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-?
The molecular formula of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- is C11H9N3O2S.
What is the molecular weight of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-?
The molecular weight of 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- is 247.04 g/mol.
Where can I buy 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-?
You can request a quote for 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-9-Thia-1,5,7-triazafluorene-6,8-dione, 2,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.