s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-
TL;DR: s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- (CAS 41735-54-0) is a chemical compound with molecular formula C6H3ClN4O3 and molecular weight 213.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
Also Known As: 3-Chloro-5-(5-nitro-2-furyl)-s-triazole, s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-, 1H-1,2,4-Triazole, 3-chloro-5-(5-nitro-2-furanyl)-, 5-chloro-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole, 3-Chloro-5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
| Molecular Formula | C6H3ClN4O3 |
|---|---|
| Molecular Weight | 213.99 g/mol |
| LogP | 1.6263 |
| Topological Polar Surface Area | 97.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 213.98936 |
| Heavy Atoms | 14 |
| Complexity | 476.88492 |
Chemical Identifiers
| CAS Number | 41735-54-0 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C2=NNC(=N2)Cl |
Product Overview
s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- (CAS 41735-54-0), with molecular formula C6H3ClN4O3 and molecular weight 213.99 g/mol. IUPAC: 5-chloro-3-(5-nitrofuran-2-yl)-1H-1,2,4-triazole.
Chemical Property Profile of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-
Property Insights of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-
The XLogP value of 1.6263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-. The TPSA of 97.85 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- has 1 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 s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-?
The CAS number of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- is 41735-54-0.
What is the molecular formula of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-?
The molecular formula of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- is C6H3ClN4O3.
What is the molecular weight of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-?
The molecular weight of s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- is 213.99 g/mol.
Where can I buy s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-?
You can request a quote for s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for s-Triazole, 3-chloro-5-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-chloro-5-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.