![N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide structure](/static/products/444/444111-79-9.png)
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 444111-79-9) is a chemical compound with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: BAS 06330843, N-(2-cyclohex-1-enylethyl)-2-(3-nitro(1,2,4-triazolyl))acetamide, N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, N-(2-Cyclohex-1-enyl-ethyl)-2-(3-nitro-[1,2,4]triazol-1-yl)-acetamide, N-[2-(cyclohexen-1-yl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
| Molecular Formula | C12H17N5O3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 1.193 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 279.13315 |
| Heavy Atoms | 20 |
| Complexity | 522.9174 |
Chemical Identifiers
| CAS Number | 444111-79-9 |
|---|---|
| SMILES | C1CCC(=CC1)CCNC(=O)CN2C=NC(=N2)[N+](=O)[O-] |
Product Overview
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 444111-79-9), with molecular formula C12H17N5O3 and molecular weight 279.13 g/mol. IUPAC: N-[2-(cyclohexen-1-yl)ethyl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of 1.193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. Following Lipinski's Rule of Five, N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide 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 N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 444111-79-9.
What is the molecular formula of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C12H17N5O3.
What is the molecular weight of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 279.13 g/mol.
Where can I buy N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(cyclohex-1-en-1-yl)ethyl]-2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.