C21H24N4O6S
TL;DR: C21H24N4O6S (CAS 1233523-48-2) is a chemical compound with molecular formula C21H24N4O6S and molecular weight 460.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,4,5-trimethoxyphenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3,4,5-trimethoxybenzylidene)amino)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(3,4,5-trimethoxyphenyl)-1-azavinyl]-5-(3,4,5-trimethoxyphenyl)-1,2, 4-triazole-3-thiol, 5-(3,4,5-trimethoxyphenyl)-4-[(3,4,5-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, 5-(3,4,5-trimethoxyphenyl)-4-{[(E)-(3,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3,4,5-TRIMETHOXYPHENYL)-4-{[(E)-(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C21H24N4O6S |
|---|---|
| Molecular Weight | 460.14 g/mol |
| LogP | 3.54149 |
| Topological Polar Surface Area | 101.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 460.14166 |
| Heavy Atoms | 32 |
| Complexity | 1137.2634 |
Chemical Identifiers
| CAS Number | 1233523-48-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=N/N2C(=NNC2=S)C3=CC(=C(C(=C3)OC)OC)OC |
Product Overview
C21H24N4O6S (CAS 1233523-48-2), with molecular formula C21H24N4O6S and molecular weight 460.14 g/mol. IUPAC: 3-(3,4,5-trimethoxyphenyl)-4-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of C21H24N4O6S
Property Insights of C21H24N4O6S
The XLogP value of 3.54149 indicates that C21H24N4O6S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.35 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H24N4O6S. Following Lipinski's Rule of Five, C21H24N4O6S 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 C21H24N4O6S?
The CAS number of C21H24N4O6S is 1233523-48-2.
What is the molecular formula of C21H24N4O6S?
The molecular formula of C21H24N4O6S is C21H24N4O6S.
What is the molecular weight of C21H24N4O6S?
The molecular weight of C21H24N4O6S is 460.14 g/mol.
Where can I buy C21H24N4O6S?
You can request a quote for C21H24N4O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H24N4O6S?
Yes, KEHONG BIO provides custom synthesis services for C21H24N4O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.