C23H18N6O4S
TL;DR: C23H18N6O4S (CAS 669761-33-5) is a chemical compound with molecular formula C23H18N6O4S and molecular weight 474.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-nitrophenyl)hydrazinylidene]acetate
Also Known As: (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(2-nitrophenyl)hydrazono)acetate, acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio][(2-nitrophenyl)hydrazono]-, methyl ester, (2E)-, methyl (2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl][2-(2-nitrophenyl)hydrazinylidene]ethanoate
| Molecular Formula | C23H18N6O4S |
|---|---|
| Molecular Weight | 474.11 g/mol |
| LogP | 4.5332 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.11102 |
| Heavy Atoms | 34 |
| Complexity | 1342.0996 |
Chemical Identifiers
| CAS Number | 669761-33-5 |
|---|---|
| SMILES | COC(=O)/C(=N\NC1=CC=CC=C1[N+](=O)[O-])/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
C23H18N6O4S (CAS 669761-33-5), with molecular formula C23H18N6O4S and molecular weight 474.11 g/mol. IUPAC: methyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-[(2-nitrophenyl)hydrazinylidene]acetate.
Chemical Property Profile of C23H18N6O4S
Property Insights of C23H18N6O4S
The XLogP value of 4.5332 indicates that C23H18N6O4S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for C23H18N6O4S. Following Lipinski's Rule of Five, C23H18N6O4S has 1 hydrogen bond donor(s) and 9 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 C23H18N6O4S?
The CAS number of C23H18N6O4S is 669761-33-5.
What is the molecular formula of C23H18N6O4S?
The molecular formula of C23H18N6O4S is C23H18N6O4S.
What is the molecular weight of C23H18N6O4S?
The molecular weight of C23H18N6O4S is 474.11 g/mol.
Where can I buy C23H18N6O4S?
You can request a quote for C23H18N6O4S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C23H18N6O4S?
Yes, KEHONG BIO provides custom synthesis services for C23H18N6O4S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.