![2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine structure](/static/products/866/866149-40-8.png)
2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine
TL;DR: 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine (CAS 866149-40-8) is a chemical compound with molecular formula C17H13N5O4S and molecular weight 383.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine
Also Known As: 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine, 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine, 9W-0863, 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine, 2-[(5-benzo[1,3]dioxol-5-yl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-pyridine
| Molecular Formula | C17H13N5O4S |
|---|---|
| Molecular Weight | 383.07 g/mol |
| LogP | 3.3142 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 383.06882 |
| Heavy Atoms | 27 |
| Complexity | 1035.9133 |
Chemical Identifiers
| CAS Number | 866149-40-8 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SC2=C(C=CC=N2)[N+](=O)[O-])C3=CC4=C(C=C3)OCO4 |
Product Overview
2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine (CAS 866149-40-8), with molecular formula C17H13N5O4S and molecular weight 383.07 g/mol. IUPAC: 2-[[5-(1,3-benzodioxol-5-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-3-nitropyridine.
Chemical Property Profile of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine
Property Insights of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine
The XLogP value of 3.3142 indicates that 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine. Following Lipinski's Rule of Five, 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine has 0 hydrogen bond donor(s) and 8 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 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine?
The CAS number of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine is 866149-40-8.
What is the molecular formula of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine?
The molecular formula of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine is C17H13N5O4S.
What is the molecular weight of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine?
The molecular weight of 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine is 383.07 g/mol.
Where can I buy 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine?
You can request a quote for 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-allyl-5-(1,3-benzodioxol-5-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-3-nitropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.