![1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione structure](/static/products/205/205309-89-3.png)
1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione
TL;DR: 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione (CAS 205309-89-3) is a chemical compound with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione
Also Known As: NCI60_032246, 1,3-dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione, 1,3-Dimethyl-6H-purino[8,7-b][1,3]benzothiazine-2,4,6(1H,3H)-trione, 6H-Purino[8,7-b][1,3]benzothiazine-2,4,6(1H,3H)-trione, 1,3-dimethyl-, 1,3-Dimethyl-1,3,4b,11-tetraaza-10-thia-5H-benzo[b]fluorene-2(1H),4(3H),5-trione
| Molecular Formula | C14H10N4O3S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.04736 |
| Heavy Atoms | 22 |
| Complexity | 556.0 |
Chemical Identifiers
| CAS Number | 205309-89-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N3C(=O)C4=CC=CC=C4SC3=N2 |
| InChIKey | SVOPXNRQKZTEJF-UHFFFAOYSA-N |
Product Overview
1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione (CAS 205309-89-3), with molecular formula C14H10N4O3S and molecular weight 314.05 g/mol. IUPAC: 1,3-dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione.
Chemical Property Profile of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione
Property Insights of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione. Following Lipinski's Rule of Five, 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione 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 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione?
The CAS number of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione is 205309-89-3.
What is the molecular formula of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione?
The molecular formula of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione is C14H10N4O3S.
What is the molecular weight of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione?
The molecular weight of 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione is 314.05 g/mol.
Where can I buy 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione?
You can request a quote for 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethylpurino[8,7-b][1,3]benzothiazine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.