s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-
TL;DR: s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- (CAS 23633-05-8) is a chemical compound with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol
Also Known As: 3-(Hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-s-triazole, {[4-methyl-5-(5-nitrofuran-2-yl)-4h-1,2,4-triazol-3-yl]amino}methanol, s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-, Methanol, ((4-methyl-5-(5-nitro-2-furanyl)-4H-1,2,4-triazol-3-yl)amino)-, [[4-Methyl-5-(5-nitro-2-furyl)-4H-1,2,4-triazol-3-yl]amino]methanol
| Molecular Formula | C8H9N5O4 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 239.06546 |
| Heavy Atoms | 17 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 23633-05-8 |
|---|---|
| SMILES | CN1C(=NN=C1NCO)C2=CC=C(O2)[N+](=O)[O-] |
| InChIKey | KLSJGJFSWDJEOE-UHFFFAOYSA-N |
Product Overview
s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- (CAS 23633-05-8), with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol. IUPAC: [[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]amino]methanol.
Chemical Property Profile of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-
Property Insights of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-. Following Lipinski's Rule of Five, s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- has 2 hydrogen bond donor(s) and 7 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-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-?
The CAS number of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- is 23633-05-8.
What is the molecular formula of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-?
The molecular formula of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- is C8H9N5O4.
What is the molecular weight of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-?
The molecular weight of s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- is 239.07 g/mol.
Where can I buy s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-?
You can request a quote for s-Triazole, 3-(hydroxymethylamino)-4-methyl-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-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 3-(hydroxymethylamino)-4-methyl-5-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.