![1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide structure](/static/products/374/374089-98-2.png)
1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
TL;DR: 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide (CAS 374089-98-2) is a chemical compound with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
Also Known As: 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide, 4'-(3-ethoxy-5-((2-methylallyl)thio)-4H-1,2,4-triazol-4-yl)-N-(m-tolyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide, 4'-{3-ethoxy-5-[(2-methylprop-2-en-1-yl)sulfanyl]-4H-1,2,4-triazol-4-yl}-N-(3-methylphenyl)-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
| Molecular Formula | C31H36N4O2S |
|---|---|
| Molecular Weight | 528.26 g/mol |
| LogP | 7.05812 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 528.2559 |
| Heavy Atoms | 38 |
| Complexity | 1384.0212 |
Chemical Identifiers
| CAS Number | 374089-98-2 |
|---|---|
| SMILES | CCOC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC(=C5)C)SCC(=C)C |
Product Overview
1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide (CAS 374089-98-2), with molecular formula C31H36N4O2S and molecular weight 528.26 g/mol. IUPAC: 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide.
Chemical Property Profile of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
Property Insights of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
The XLogP value of 7.05812 indicates that 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide. Following Lipinski's Rule of Five, 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The CAS number of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is 374089-98-2.
What is the molecular formula of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The molecular formula of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is C31H36N4O2S.
What is the molecular weight of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The molecular weight of 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is 528.26 g/mol.
Where can I buy 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
You can request a quote for 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-ethoxy-5-(2-methylprop-2-enylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-methylphenyl)spiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.