C22H25ClN6OS
TL;DR: C22H25ClN6OS (CAS 488854-41-7) is a chemical compound with molecular formula C22H25ClN6OS and molecular weight 456.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, (E)-2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide, N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-cyclohexyl (1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H25ClN6OS |
|---|---|
| Molecular Weight | 456.15 g/mol |
| LogP | 4.6846 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.1499 |
| Heavy Atoms | 31 |
| Complexity | 1052.398 |
Chemical Identifiers
| CAS Number | 488854-41-7 |
|---|---|
| SMILES | CN1C=CC=C1/C=N/NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=C(C=C4)Cl |
Product Overview
C22H25ClN6OS (CAS 488854-41-7), with molecular formula C22H25ClN6OS and molecular weight 456.15 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of C22H25ClN6OS
Property Insights of C22H25ClN6OS
The XLogP value of 4.6846 indicates that C22H25ClN6OS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C22H25ClN6OS. Following Lipinski's Rule of Five, C22H25ClN6OS has 1 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 C22H25ClN6OS?
The CAS number of C22H25ClN6OS is 488854-41-7.
What is the molecular formula of C22H25ClN6OS?
The molecular formula of C22H25ClN6OS is C22H25ClN6OS.
What is the molecular weight of C22H25ClN6OS?
The molecular weight of C22H25ClN6OS is 456.15 g/mol.
Where can I buy C22H25ClN6OS?
You can request a quote for C22H25ClN6OS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H25ClN6OS?
Yes, KEHONG BIO provides custom synthesis services for C22H25ClN6OS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.