ChemDiv2_004608
TL;DR: ChemDiv2_004608 (CAS 724780-24-9) is a chemical compound with molecular formula C9H8N6OS2 and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: ChemDiv2_004608, IDI1_003323, 5-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
| Molecular Formula | C9H8N6OS2 |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 0.86982 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.0201 |
| Heavy Atoms | 18 |
| Complexity | 744.6838 |
Chemical Identifiers
| CAS Number | 724780-24-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC(=O)N3C(=N2)N=CN3 |
Product Overview
ChemDiv2_004608 (CAS 724780-24-9), with molecular formula C9H8N6OS2 and molecular weight 280.02 g/mol. IUPAC: 5-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of ChemDiv2_004608
Property Insights of ChemDiv2_004608
The XLogP value of 0.86982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004608. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004608. Following Lipinski's Rule of Five, ChemDiv2_004608 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 ChemDiv2_004608?
The CAS number of ChemDiv2_004608 is 724780-24-9.
What is the molecular formula of ChemDiv2_004608?
The molecular formula of ChemDiv2_004608 is C9H8N6OS2.
What is the molecular weight of ChemDiv2_004608?
The molecular weight of ChemDiv2_004608 is 280.02 g/mol.
Where can I buy ChemDiv2_004608?
You can request a quote for ChemDiv2_004608 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004608?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004608 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.