(1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
TL;DR: (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide (CAS 476443-05-7) is a chemical compound with molecular formula C27H38N4OS and molecular weight 466.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-butylsulfanyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, F0528-1943, N-[[5-butylsulfanyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, N-{[5-(butylsulfanyl)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[5-butylsulfanyl-4-(2-ethyl-6-methyl-phenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C27H38N4OS |
|---|---|
| Molecular Weight | 466.28 g/mol |
| LogP | 5.86292 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 466.27664 |
| Heavy Atoms | 33 |
| Complexity | 978.2612 |
Chemical Identifiers
| CAS Number | 476443-05-7 |
|---|---|
| SMILES | CCCCSC1=NN=C(N1C2=C(C=CC=C2CC)C)CNC(=O)C34CC5CC(C3)CC(C5)C4 |
Product Overview
(1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide (CAS 476443-05-7), with molecular formula C27H38N4OS and molecular weight 466.28 g/mol. IUPAC: N-[[5-butylsulfanyl-4-(2-ethyl-6-methylphenyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
Property Insights of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
The XLogP value of 5.86292 indicates that (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-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, (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-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, (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-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 (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The CAS number of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is 476443-05-7.
What is the molecular formula of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The molecular formula of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is C27H38N4OS.
What is the molecular weight of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The molecular weight of (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is 466.28 g/mol.
Where can I buy (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
You can request a quote for (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-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 (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1s,3s)-N-((5-(butylthio)-4-(2-ethyl-6-methylphenyl)-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.