6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione
TL;DR: 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione (CAS 18994-90-6) is a chemical compound with molecular formula C11H7N3O5S2 and molecular weight 324.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate
Also Known As: 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione, 6-hydroxy-4H-thiazolo[5,4-d]pyrimidine-5,7-dione, (5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate, 6-[(phenylsulfonyl)oxy][1,3]thiazolo[4,5-d]pyrimidine-5,7(4h,6h)-dione, (5,7-dioxo-4H-thiazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate
| Molecular Formula | C11H7N3O5S2 |
|---|---|
| Molecular Weight | 324.98 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 142.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.98273 |
| Heavy Atoms | 21 |
| Complexity | 541.0 |
Chemical Identifiers
| CAS Number | 18994-90-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)ON2C(=O)C3=C(NC2=O)N=CS3 |
| InChIKey | LISDKJSCDWBFNC-UHFFFAOYSA-N |
Product Overview
6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione (CAS 18994-90-6), with molecular formula C11H7N3O5S2 and molecular weight 324.98 g/mol. IUPAC: (5,7-dioxo-4H-[1,3]thiazolo[4,5-d]pyrimidin-6-yl) benzenesulfonate.
Chemical Property Profile of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione
Property Insights of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione. The TPSA of 142.0 Ų indicates high polarity, suggesting 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione has 1 hydrogen bond donor(s) and 7 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 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione?
The CAS number of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione is 18994-90-6.
What is the molecular formula of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione?
The molecular formula of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione is C11H7N3O5S2.
What is the molecular weight of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione?
The molecular weight of 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione is 324.98 g/mol.
Where can I buy 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione?
You can request a quote for 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-((Phenylsulfonyl)oxy)(1,3)thiazolo(4,5-d)pyrimidine-5,7(4H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.