![2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one structure](/static/products/868/868946-35-4.png)
2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
TL;DR: 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 868946-35-4) is a chemical compound with molecular formula C6H4BrN3OS and molecular weight 244.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Also Known As: J2.227.676J, 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-bromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one, 2-bromo-5-methyl-7H-1,3,4-thiadiazolo[3,2-a]pyrimidin-7-one, 2-Bromo-5-methyl-7H-1,3,4-thiadiazolo[3,2-a]pyrimidine-7-one
| Molecular Formula | C6H4BrN3OS |
|---|---|
| Molecular Weight | 244.93 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.92586 |
| Heavy Atoms | 12 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 868946-35-4 |
|---|---|
| SMILES | CC1=CC(=O)N=C2N1N=C(S2)Br |
| InChIKey | GPDMBJMQXRTUMF-UHFFFAOYSA-N |
Product Overview
2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one (CAS 868946-35-4), with molecular formula C6H4BrN3OS and molecular weight 244.93 g/mol. IUPAC: 2-bromo-5-methyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one.
Chemical Property Profile of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
Property Insights of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. The TPSA of 70.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one. Following Lipinski's Rule of Five, 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one has 0 hydrogen bond donor(s) and 3 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 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The CAS number of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 868946-35-4.
What is the molecular formula of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular formula of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is C6H4BrN3OS.
What is the molecular weight of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
The molecular weight of 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is 244.93 g/mol.
Where can I buy 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
You can request a quote for 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 2-bromo-5-methyl-7H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.