![1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one structure](/static/products/727/727386-84-7.png)
1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one
TL;DR: 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one (CAS 727386-84-7) is a chemical compound with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one
Also Known As: 1-(5-(naphthalen-1-ylthio)-3-nitro-1H-1,2,4-triazol-1-yl)propan-2-one, 1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one, 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one
| Molecular Formula | C15H12N4O3S |
|---|---|
| Molecular Weight | 328.06 g/mol |
| LogP | 3.0797 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 328.06302 |
| Heavy Atoms | 23 |
| Complexity | 901.3783 |
Chemical Identifiers
| CAS Number | 727386-84-7 |
|---|---|
| SMILES | CC(=O)CN1C(=NC(=N1)[N+](=O)[O-])SC2=CC=CC3=CC=CC=C32 |
Product Overview
1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one (CAS 727386-84-7), with molecular formula C15H12N4O3S and molecular weight 328.06 g/mol. IUPAC: 1-(5-naphthalen-1-ylsulfanyl-3-nitro-1,2,4-triazol-1-yl)propan-2-one.
Chemical Property Profile of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one
Property Insights of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one
The XLogP value of 3.0797 indicates that 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one. Following Lipinski's Rule of Five, 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one has 0 hydrogen bond donor(s) and 6 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-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one?
The CAS number of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one is 727386-84-7.
What is the molecular formula of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one?
The molecular formula of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one is C15H12N4O3S.
What is the molecular weight of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one?
The molecular weight of 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one is 328.06 g/mol.
Where can I buy 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one?
You can request a quote for 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-(naphthalen-1-ylsulfanyl)-3-nitro-1H-1,2,4-triazol-1-yl]propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.