1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea
TL;DR: 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea (CAS 287174-87-2) is a chemical compound with molecular formula C9H8Cl2N6OS and molecular weight 317.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6-dichloro-4-pyridinyl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea
Also Known As: 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea, N- -N'-[5- -4H-1,2,4-TRIAZOL-3-YL]UREA, N-(2,6-dichloro-4-pyridyl)-N'-[5-(methylthio)-4H-1,2,4-triazol-3-yl]urea, Urea, N-(2,6-dichloro-4-pyridinyl)-N'-[5-(methylthio)-1H-1,2,4-triazol-3-yl]-, 1-(2,6-dichloropyridin-4-yl)-3-[5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]urea
| Molecular Formula | C9H8Cl2N6OS |
|---|---|
| Molecular Weight | 317.99 g/mol |
| LogP | 2.8724 |
| Topological Polar Surface Area | 95.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.98575 |
| Heavy Atoms | 19 |
| Complexity | 583.8958 |
Chemical Identifiers
| CAS Number | 287174-87-2 |
|---|---|
| SMILES | CSC1=NNC(=N1)NC(=O)NC2=CC(=NC(=C2)Cl)Cl |
Product Overview
1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea (CAS 287174-87-2), with molecular formula C9H8Cl2N6OS and molecular weight 317.99 g/mol. IUPAC: 1-(2,6-dichloro-4-pyridinyl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea.
Chemical Property Profile of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea
Property Insights of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea
The XLogP value of 2.8724 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea. The TPSA of 95.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea. Following Lipinski's Rule of Five, 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea has 3 hydrogen bond donor(s) and 5 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 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea?
The CAS number of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea is 287174-87-2.
What is the molecular formula of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea?
The molecular formula of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea is C9H8Cl2N6OS.
What is the molecular weight of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea?
The molecular weight of 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea is 317.99 g/mol.
Where can I buy 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea?
You can request a quote for 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,6-dichloropyridin-4-yl)-3-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.