![N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide structure](/static/products/4773/477304-51-1.webp)
N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
TL;DR: N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide (CAS 477304-51-1) is a chemical compound with molecular formula C25H35N7O2S2 and molecular weight 529.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-cyclohexyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide
Also Known As: N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide, N-[[4-cyclohexyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide, (1s,3s)-N-((4-cyclohexyl-5-((2-((5-methyl-1,3,4-thiadiazol-2-yl)amino)-2-oxoethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)adamantane-1-carboxamide, N-({4-cyclohexyl-5-[(N-5-methyl-1,3,4-thiadiazol-2-ylcarbamoyl)methylthio]-4H-1,2,4-triazol-3-yl}methyl)-1-adamantanecarboxamide
| Molecular Formula | C25H35N7O2S2 |
|---|---|
| Molecular Weight | 529.23 g/mol |
| LogP | 4.50662 |
| Topological Polar Surface Area | 114.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.2294 |
| Heavy Atoms | 36 |
| Complexity | 1088.3098 |
Chemical Identifiers
| CAS Number | 477304-51-1 |
|---|---|
| SMILES | CC1=NN=C(S1)NC(=O)CSC2=NN=C(N2C3CCCCC3)CNC(=O)C45CC6CC(C4)CC(C6)C5 |
Product Overview
N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide (CAS 477304-51-1), with molecular formula C25H35N7O2S2 and molecular weight 529.23 g/mol. IUPAC: N-[[4-cyclohexyl-5-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]adamantane-1-carboxamide.
Chemical Property Profile of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
Property Insights of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide
The XLogP value of 4.50662 indicates that N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-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 114.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide. Following Lipinski's Rule of Five, N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The CAS number of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is 477304-51-1.
What is the molecular formula of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The molecular formula of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is C25H35N7O2S2.
What is the molecular weight of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
The molecular weight of N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide is 529.23 g/mol.
Where can I buy N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
You can request a quote for N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-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-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}adamantane-1-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-{[4-cyclohexyl-5-({[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]methyl}sulfanyl)-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.