(1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
TL;DR: (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide (CAS 477303-81-4) is a chemical compound with molecular formula C30H34N4O2S and molecular weight 514.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-phenacylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, F0528-1407, N-({5-[(2-oxo-2-phenylethyl)sulfanyl]-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl}methyl)adamantane-1-carboxamide, N-[(5-phenacylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]adamantane-1-carboxamide, N-[[5-phenacylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
| Molecular Formula | C30H34N4O2S |
|---|---|
| Molecular Weight | 514.24 g/mol |
| LogP | 5.3284 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.24023 |
| Heavy Atoms | 37 |
| Complexity | 1221.8163 |
Chemical Identifiers
| CAS Number | 477303-81-4 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=NN=C(N4CCC5=CC=CC=C5)SCC(=O)C6=CC=CC=C6 |
Product Overview
(1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide (CAS 477303-81-4), with molecular formula C30H34N4O2S and molecular weight 514.24 g/mol. IUPAC: N-[[5-phenacylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
Property Insights of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide
The XLogP value of 5.3284 indicates that (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide. Following Lipinski's Rule of Five, (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-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 (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The CAS number of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is 477303-81-4.
What is the molecular formula of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The molecular formula of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is C30H34N4O2S.
What is the molecular weight of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
The molecular weight of (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide is 514.24 g/mol.
Where can I buy (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
You can request a quote for (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-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-((2-oxo-2-phenylethyl)thio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (1S,3s)-N-((5-((2-oxo-2-phenylethyl)thio)-4-phenethyl-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.