C23H22Cl2N6O3S
TL;DR: C23H22Cl2N6O3S (CAS 488109-06-4) is a chemical compound with molecular formula C23H22Cl2N6O3S and molecular weight 532.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]-2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-cyclohe xyl(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C23H22Cl2N6O3S |
|---|---|
| Molecular Weight | 532.09 g/mol |
| LogP | 5.9077 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.08514 |
| Heavy Atoms | 35 |
| Complexity | 1242.5537 |
Chemical Identifiers
| CAS Number | 488109-06-4 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)Cl |
Product Overview
C23H22Cl2N6O3S (CAS 488109-06-4), with molecular formula C23H22Cl2N6O3S and molecular weight 532.09 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of C23H22Cl2N6O3S
Property Insights of C23H22Cl2N6O3S
The XLogP value of 5.9077 indicates that C23H22Cl2N6O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H22Cl2N6O3S. Following Lipinski's Rule of Five, C23H22Cl2N6O3S has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C23H22Cl2N6O3S?
The CAS number of C23H22Cl2N6O3S is 488109-06-4.
What is the molecular formula of C23H22Cl2N6O3S?
The molecular formula of C23H22Cl2N6O3S is C23H22Cl2N6O3S.
What is the molecular weight of C23H22Cl2N6O3S?
The molecular weight of C23H22Cl2N6O3S is 532.09 g/mol.
Where can I buy C23H22Cl2N6O3S?
You can request a quote for C23H22Cl2N6O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H22Cl2N6O3S?
Yes, KEHONG BIO provides custom synthesis services for C23H22Cl2N6O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.