s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-
TL;DR: s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- (CAS 41735-51-7) is a chemical compound with molecular formula C7H6N6O5 and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]nitramide
Also Known As: s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-, 4-Methyl-3-nitramino-5-(5-nitro-2-furyl)-s-triazole, 4H-1,2,4-Triazol-3-amine, 4-methyl-N-nitro-5-(5-nitro-2-furyl)-, N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]nitramide, 4-Methyl-N-nitro-5-(5-nitrofuran-2-yl)-4H-1,2,4-triazol-3-amine
| Molecular Formula | C7H6N6O5 |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.5869 |
| Topological Polar Surface Area | 142.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.03996 |
| Heavy Atoms | 18 |
| Complexity | 615.6247 |
Chemical Identifiers
| CAS Number | 41735-51-7 |
|---|---|
| SMILES | CN1C(=NN=C1N[N+](=O)[O-])C2=CC=C(O2)[N+](=O)[O-] |
Product Overview
s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- (CAS 41735-51-7), with molecular formula C7H6N6O5 and molecular weight 254.04 g/mol. IUPAC: N-[4-methyl-5-(5-nitrofuran-2-yl)-1,2,4-triazol-3-yl]nitramide.
Chemical Property Profile of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-
Property Insights of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-
The XLogP value of 0.5869 suggests moderate lipophilicity, balancing water solubility and membrane permeability for s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-. The TPSA of 142.16 Ų indicates high polarity, suggesting s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- has 1 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, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-?
The CAS number of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- is 41735-51-7.
What is the molecular formula of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-?
The molecular formula of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- is C7H6N6O5.
What is the molecular weight of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-?
The molecular weight of s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- is 254.04 g/mol.
Where can I buy s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-?
You can request a quote for s-Triazole, 4-methyl-3-nitramino-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, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)-?
Yes, KEHONG BIO provides custom synthesis services for s-Triazole, 4-methyl-3-nitramino-5-(5-nitro-2-furyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.