![N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide structure](/static/products/6927/692772-27-3.webp)
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
TL;DR: N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (CAS 692772-27-3) is a chemical compound with molecular formula C21H29N5O3S and molecular weight 431.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide
Also Known As: N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide, N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide, N-[(5-{[(cyclohexylcarbamoyl)methyl]sulfanyl}-4-methyl-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
| Molecular Formula | C21H29N5O3S |
|---|---|
| Molecular Weight | 431.20 g/mol |
| LogP | 2.2236 |
| Topological Polar Surface Area | 98.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 431.1991 |
| Heavy Atoms | 30 |
| Complexity | 846.8268 |
Chemical Identifiers
| CAS Number | 692772-27-3 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2CCCCC2)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide (CAS 692772-27-3), with molecular formula C21H29N5O3S and molecular weight 431.20 g/mol. IUPAC: N-[[5-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-4-methyl-1,2,4-triazol-3-yl]methyl]-2-(4-methoxyphenyl)acetamide.
Chemical Property Profile of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
Property Insights of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide
The XLogP value of 2.2236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide. The TPSA of 98.14 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide. Following Lipinski's Rule of Five, N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide has 2 hydrogen bond donor(s) and 6 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-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The CAS number of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is 692772-27-3.
What is the molecular formula of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The molecular formula of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is C21H29N5O3S.
What is the molecular weight of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
The molecular weight of N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide is 431.20 g/mol.
Where can I buy N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
You can request a quote for N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(5-{[2-(cyclohexylamino)-2-oxoethyl]sulfanyl}-4-methyl-4H-1,2,4-triazol-3-yl)methyl]-2-(4-methoxyphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.