![N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide structure](/static/products/4773/477304-53-3.webp)
N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
TL;DR: N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide (CAS 477304-53-3) is a chemical compound with molecular formula C24H38N4OS and molecular weight 430.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-butan-2-ylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
Also Known As: N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, (1S,3s)-N-((5-(sec-butylthio)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-[(5-butan-2-ylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide
| Molecular Formula | C24H38N4OS |
|---|---|
| Molecular Weight | 430.28 g/mol |
| LogP | 5.5065 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 430.27664 |
| Heavy Atoms | 30 |
| Complexity | 733.9713 |
Chemical Identifiers
| CAS Number | 477304-53-3 |
|---|---|
| SMILES | CCC(C)SC1=NN=C(N1C2CCCCC2)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide (CAS 477304-53-3), with molecular formula C24H38N4OS and molecular weight 430.28 g/mol. IUPAC: N-[(5-butan-2-ylsulfanyl-4-cyclohexyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide.
Chemical Property Profile of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
Property Insights of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
The XLogP value of 5.5065 indicates that N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The CAS number of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is 477304-53-3.
What is the molecular formula of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The molecular formula of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is C24H38N4OS.
What is the molecular weight of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The molecular weight of N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is 430.28 g/mol.
Where can I buy N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
You can request a quote for N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[5-(butan-2-ylsulfanyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.