![2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine structure](/static/products/166/16672-21-2.png)
2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine
TL;DR: 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine (CAS 16672-21-2) is a chemical compound with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine
Also Known As: 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine, 2-(3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl)guanidine
| Molecular Formula | C9H8N6O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.5497 |
| Topological Polar Surface Area | 146.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06578 |
| Heavy Atoms | 18 |
| Complexity | 599.02045 |
Chemical Identifiers
| CAS Number | 16672-21-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NOC(=N2)N=C(N)N)[N+](=O)[O-] |
Product Overview
2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine (CAS 16672-21-2), with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol. IUPAC: 2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine.
Chemical Property Profile of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine
Property Insights of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine
The XLogP value of 0.5497 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine. The TPSA of 146.46 Ų indicates high polarity, suggesting 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine has 2 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 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine?
The CAS number of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine is 16672-21-2.
What is the molecular formula of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine?
The molecular formula of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine is C9H8N6O3.
What is the molecular weight of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine?
The molecular weight of 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine is 248.07 g/mol.
Where can I buy 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine?
You can request a quote for 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Nitrophenyl)-1,2,4-oxadiazol-5-yl]guanidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.