RefChem:1083091
TL;DR: RefChem:1083091 (CAS 64039-46-9) is a chemical compound with molecular formula C8H10IN5O3 and molecular weight 350.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-1-(5-nitrofuran-2-yl)-1,2,4-triazol-4-ium-3-imine iodide
Also Known As: KST-1A7178, (3e)-3-imino-2,4-dimethyl-1-(5-nitrofuran-2-yl)-2,3-dihydro-1h-1,2,4-triazol-4-ium iodide, 1,4-Dimethyl-5-imino-2-(5-nitro-2-furyl)-delta(sup 2)-1,2,4-triazoline hydroiodide, 1H-1,2,4-Triazolium, 4,5-dihydro-5-imino-1,4-dimethyl-2-(5-nitro-2-furanyl)-, iodide, delta(sup 2)-1,2,4-Triazoline, 1,4-dimethyl-5-imino-2-(5-nitro-2-furyl)-, hydroiodide
| Molecular Formula | C8H10IN5O3 |
|---|---|
| Molecular Weight | 350.98 g/mol |
| LogP | -3.38 |
| Topological Polar Surface Area | 92.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 350.98285 |
| Heavy Atoms | 17 |
| Complexity | 363.0 |
Chemical Identifiers
| CAS Number | 64039-46-9 |
|---|---|
| SMILES | CN1C(=N)[N+](=CN1C2=CC=C(O2)[N+](=O)[O-])C.[I-] |
| InChIKey | IQHMIHYIUMSECB-UHFFFAOYSA-M |
Product Overview
RefChem:1083091 (CAS 64039-46-9), with molecular formula C8H10IN5O3 and molecular weight 350.98 g/mol. IUPAC: 2,4-dimethyl-1-(5-nitrofuran-2-yl)-1,2,4-triazol-4-ium-3-imine iodide.
Chemical Property Profile of RefChem:1083091
Property Insights of RefChem:1083091
The XLogP value of -3.38 indicates that RefChem:1083091 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1083091. Following Lipinski's Rule of Five, RefChem:1083091 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 RefChem:1083091?
The CAS number of RefChem:1083091 is 64039-46-9.
What is the molecular formula of RefChem:1083091?
The molecular formula of RefChem:1083091 is C8H10IN5O3.
What is the molecular weight of RefChem:1083091?
The molecular weight of RefChem:1083091 is 350.98 g/mol.
Where can I buy RefChem:1083091?
You can request a quote for RefChem:1083091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.