C20H18N8O6S
TL;DR: C20H18N8O6S (CAS 861635-72-5) is a chemical compound with molecular formula C20H18N8O6S and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
Also Known As: (E)-4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate, 4-[(E)-(2-{[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(thiophen-2-yl)-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)methyl]-2,6-dimethoxyphenyl acetate
| Molecular Formula | C20H18N8O6S |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | 1.6674 |
| Topological Polar Surface Area | 181.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 498.107 |
| Heavy Atoms | 35 |
| Complexity | 1369.5042 |
Chemical Identifiers
| CAS Number | 861635-72-5 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1OC)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)OC |
Product Overview
C20H18N8O6S (CAS 861635-72-5), with molecular formula C20H18N8O6S and molecular weight 498.11 g/mol. IUPAC: [4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-thiophen-2-yltriazole-4-carbonyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of C20H18N8O6S
Property Insights of C20H18N8O6S
The XLogP value of 1.6674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H18N8O6S. The TPSA of 181.87 Ų indicates high polarity, suggesting C20H18N8O6S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H18N8O6S has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C20H18N8O6S?
The CAS number of C20H18N8O6S is 861635-72-5.
What is the molecular formula of C20H18N8O6S?
The molecular formula of C20H18N8O6S is C20H18N8O6S.
What is the molecular weight of C20H18N8O6S?
The molecular weight of C20H18N8O6S is 498.11 g/mol.
Where can I buy C20H18N8O6S?
You can request a quote for C20H18N8O6S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H18N8O6S?
Yes, KEHONG BIO provides custom synthesis services for C20H18N8O6S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.