![N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide structure](/static/products/1005/1005122-40-6.webp)
N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
TL;DR: N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide (CAS 1005122-40-6) is a chemical compound with molecular formula C24H35N5O2S and molecular weight 457.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-ethyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide
Also Known As: N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide, N-[1-[4-ethyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide, N-{1-[4-ETHYL-5-({[(2-METHYLCYCLOHEXYL)CARBAMOYL]METHYL}SULFANYL)-1,2,4-TRIAZOL-3-YL]-2-METHYLPROPYL}BENZAMIDE
| Molecular Formula | C24H35N5O2S |
|---|---|
| Molecular Weight | 457.25 g/mol |
| LogP | 4.2121 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.25116 |
| Heavy Atoms | 32 |
| Complexity | 899.04944 |
Chemical Identifiers
| CAS Number | 1005122-40-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2CCCCC2C)C(C(C)C)NC(=O)C3=CC=CC=C3 |
Product Overview
N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide (CAS 1005122-40-6), with molecular formula C24H35N5O2S and molecular weight 457.25 g/mol. IUPAC: N-[1-[4-ethyl-5-[2-[(2-methylcyclohexyl)amino]-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-2-methylpropyl]benzamide.
Chemical Property Profile of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
Property Insights of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide
The XLogP value of 4.2121 indicates that N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide. Following Lipinski's Rule of Five, N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide?
The CAS number of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide is 1005122-40-6.
What is the molecular formula of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide?
The molecular formula of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide is C24H35N5O2S.
What is the molecular weight of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide?
The molecular weight of N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide is 457.25 g/mol.
Where can I buy N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide?
You can request a quote for N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[4-ethyl-5-({2-[(2-methylcyclohexyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-2-methylpropyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.