C20H20N8O3S
TL;DR: C20H20N8O3S (CAS 849002-21-7) is a chemical compound with molecular formula C20H20N8O3S and molecular weight 452.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(4-propoxyphenyl)ethylidene)-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(4-propoxyphenyl)ethylidene]-5-(thiophen-2-yl)-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H20N8O3S |
|---|---|
| Molecular Weight | 452.14 g/mol |
| LogP | 2.9038 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 452.1379 |
| Heavy Atoms | 32 |
| Complexity | 1228.2759 |
Chemical Identifiers
| CAS Number | 849002-21-7 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C(=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC=CS4)/C |
Product Overview
C20H20N8O3S (CAS 849002-21-7), with molecular formula C20H20N8O3S and molecular weight 452.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(4-propoxyphenyl)ethylideneamino]-5-thiophen-2-yltriazole-4-carboxamide.
Chemical Property Profile of C20H20N8O3S
Property Insights of C20H20N8O3S
The XLogP value of 2.9038 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H20N8O3S. The TPSA of 146.34 Ų indicates high polarity, suggesting C20H20N8O3S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H20N8O3S has 2 hydrogen bond donor(s) and 10 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 C20H20N8O3S?
The CAS number of C20H20N8O3S is 849002-21-7.
What is the molecular formula of C20H20N8O3S?
The molecular formula of C20H20N8O3S is C20H20N8O3S.
What is the molecular weight of C20H20N8O3S?
The molecular weight of C20H20N8O3S is 452.14 g/mol.
Where can I buy C20H20N8O3S?
You can request a quote for C20H20N8O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H20N8O3S?
Yes, KEHONG BIO provides custom synthesis services for C20H20N8O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.