![7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one structure](/static/products/875/87572-02-9.png)
7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
TL;DR: 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 87572-02-9) is a chemical compound with molecular formula C6H4ClN3OS and molecular weight 200.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(chloromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Also Known As: 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one, 7-(chloromethyl)-5H-1,3,4thiadiazolo3,2-apyrimidin-5-one, 7-chloromethyl-5H-1,3,4-thiadiazolo[3,2-a]pyrimidine-5-one, 7-(chloromethyl)-5H-(1,3,4)thiadiazolo(3,2-a)pyrimidin-5-one
| Molecular Formula | C6H4ClN3OS |
|---|---|
| Molecular Weight | 200.98 g/mol |
| LogP | 0.8898 |
| Topological Polar Surface Area | 47.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.97636 |
| Heavy Atoms | 12 |
| Complexity | 463.0063 |
Chemical Identifiers
| CAS Number | 87572-02-9 |
|---|---|
| SMILES | C1=C(N=C2N(C1=O)N=CS2)CCl |
Product Overview
7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one (CAS 87572-02-9), with molecular formula C6H4ClN3OS and molecular weight 200.98 g/mol. IUPAC: 7-(chloromethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
Property Insights of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
The XLogP value of 0.8898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one. With a topological polar surface area (TPSA) of 47.26 Ų, 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one 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 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The CAS number of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 87572-02-9.
What is the molecular formula of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular formula of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is C6H4ClN3OS.
What is the molecular weight of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
The molecular weight of 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one is 200.98 g/mol.
Where can I buy 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
You can request a quote for 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(chloromethyl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.