5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-
TL;DR: 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- (CAS 53528-94-2) is a chemical compound with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-butyl-6-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-7-olate
Also Known As: 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-, 8,8a-Dihydro-8-butyl-6-methyl-5H-1,3,4-thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8-butyl-6-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-7-olate, 8-Butyl-6-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-7-olate, RefChem:305223
| Molecular Formula | C10H13N3O2S |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 0.22562 |
| Topological Polar Surface Area | 61.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.07285 |
| Heavy Atoms | 16 |
| Complexity | 573.1832 |
Chemical Identifiers
| CAS Number | 53528-94-2 |
|---|---|
| SMILES | CCCC[N+]1=C2N(C(=O)C(=C1[O-])C)N=CS2 |
Product Overview
5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- (CAS 53528-94-2), with molecular formula C10H13N3O2S and molecular weight 239.07 g/mol. IUPAC: 8-butyl-6-methyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-8-ium-7-olate.
Chemical Property Profile of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-
Property Insights of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-
The XLogP value of 0.22562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-. The TPSA of 61.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-. Following Lipinski's Rule of Five, 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- has 0 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-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-?
The CAS number of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- is 53528-94-2.
What is the molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-?
The molecular formula of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- is C10H13N3O2S.
What is the molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-?
The molecular weight of 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- is 239.07 g/mol.
Where can I buy 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-?
You can request a quote for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-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)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 5H-1,3,4-Thiadiazolo(3,2-a)pyrimidine-5,7(6H)-dione, 8,8a-dihydro-8-butyl-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.