5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-
TL;DR: 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- (CAS 63028-49-9) is a chemical compound with molecular formula C8H9N3O3S2 and molecular weight 259.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfonyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-, 2-Ethylsulfonyl-7-methyl-5H-1,3,4-thiadiazolo(3,2-a)pyrimidin-5-one, 2-ethylsulfonyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 2-(Ethanesulfonyl)-7-methyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, BRN 1128549
| Molecular Formula | C8H9N3O3S2 |
|---|---|
| Molecular Weight | 259.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.00854 |
| Heavy Atoms | 16 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 63028-49-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=NN2C(=O)C=C(N=C2S1)C |
| InChIKey | AJTLIYGENZUXAH-UHFFFAOYSA-N |
Product Overview
5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- (CAS 63028-49-9), with molecular formula C8H9N3O3S2 and molecular weight 259.01 g/mol. IUPAC: 2-ethylsulfonyl-7-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-
Property Insights of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-. Following Lipinski's Rule of Five, 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- 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 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-?
The CAS number of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- is 63028-49-9.
What is the molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-?
The molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- is C8H9N3O3S2.
What is the molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-?
The molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- is 259.01 g/mol.
Where can I buy 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-?
You can request a quote for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidin-5-one, 2-(ethylsulfonyl)-7-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.