C18H20N12O2S
TL;DR: C18H20N12O2S (CAS 848993-22-6) is a chemical compound with molecular formula C18H20N12O2S and molecular weight 468.16 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)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(4-(dimethylamino)benzylidene)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C18H20N12O2S |
|---|---|
| Molecular Weight | 468.16 g/mol |
| LogP | 0.4832 |
| Topological Polar Surface Area | 171.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 468.1553 |
| Heavy Atoms | 33 |
| Complexity | 1273.8381 |
Chemical Identifiers
| CAS Number | 848993-22-6 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)N(C)C |
Product Overview
C18H20N12O2S (CAS 848993-22-6), with molecular formula C18H20N12O2S and molecular weight 468.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C18H20N12O2S
Property Insights of C18H20N12O2S
The XLogP value of 0.4832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H20N12O2S. The TPSA of 171.06 Ų indicates high polarity, suggesting C18H20N12O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H20N12O2S has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C18H20N12O2S?
The CAS number of C18H20N12O2S is 848993-22-6.
What is the molecular formula of C18H20N12O2S?
The molecular formula of C18H20N12O2S is C18H20N12O2S.
What is the molecular weight of C18H20N12O2S?
The molecular weight of C18H20N12O2S is 468.16 g/mol.
Where can I buy C18H20N12O2S?
You can request a quote for C18H20N12O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H20N12O2S?
Yes, KEHONG BIO provides custom synthesis services for C18H20N12O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.