![1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide structure](/static/products/372/372502-52-8.png)
1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
TL;DR: 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide (CAS 372502-52-8) is a chemical compound with molecular formula C30H36N4O2S and molecular weight 516.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
Also Known As: 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide, 4'-(3-(butylthio)-5-ethoxy-4H-1,2,4-triazol-4-yl)-N-phenyl-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide, 4'-[3-(butylsulfanyl)-5-ethoxy-4H-1,2,4-triazol-4-yl]-N-phenyl-1'H-spiro[cyclohexane-1,2'-naphthalene]-3'-carboxamide
| Molecular Formula | C30H36N4O2S |
|---|---|
| Molecular Weight | 516.26 g/mol |
| LogP | 6.9737 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.2559 |
| Heavy Atoms | 37 |
| Complexity | 1261.5956 |
Chemical Identifiers
| CAS Number | 372502-52-8 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=C(C3(CCCCC3)CC4=CC=CC=C42)C(=O)NC5=CC=CC=C5)OCC |
Product Overview
1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide (CAS 372502-52-8), with molecular formula C30H36N4O2S and molecular weight 516.26 g/mol. IUPAC: 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide.
Chemical Property Profile of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
Property Insights of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide
The XLogP value of 6.9737 indicates that 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[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-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide. Following Lipinski's Rule of Five, 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[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-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The CAS number of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is 372502-52-8.
What is the molecular formula of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The molecular formula of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is C30H36N4O2S.
What is the molecular weight of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
The molecular weight of 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide is 516.26 g/mol.
Where can I buy 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
You can request a quote for 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[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-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-butylsulfanyl-5-ethoxy-1,2,4-triazol-4-yl)-N-phenylspiro[4H-naphthalene-3,1'-cyclohexane]-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.