C20H24N12O2S
TL;DR: C20H24N12O2S (CAS 849019-16-5) is a chemical compound with molecular formula C20H24N12O2S and molecular weight 496.19 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-(diethylamino)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-(diethylamino)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-(diethylamino)phenyl]methylidene}-5-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C20H24N12O2S |
|---|---|
| Molecular Weight | 496.19 g/mol |
| LogP | 1.2634 |
| Topological Polar Surface Area | 171.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 10 |
| Exact Mass | 496.18658 |
| Heavy Atoms | 35 |
| Complexity | 1305.8715 |
Chemical Identifiers
| CAS Number | 849019-16-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NN=CN4C |
Product Overview
C20H24N12O2S (CAS 849019-16-5), with molecular formula C20H24N12O2S and molecular weight 496.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carboxamide.
Chemical Property Profile of C20H24N12O2S
Property Insights of C20H24N12O2S
The XLogP value of 1.2634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C20H24N12O2S. The TPSA of 171.06 Ų indicates high polarity, suggesting C20H24N12O2S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C20H24N12O2S 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 C20H24N12O2S?
The CAS number of C20H24N12O2S is 849019-16-5.
What is the molecular formula of C20H24N12O2S?
The molecular formula of C20H24N12O2S is C20H24N12O2S.
What is the molecular weight of C20H24N12O2S?
The molecular weight of C20H24N12O2S is 496.19 g/mol.
Where can I buy C20H24N12O2S?
You can request a quote for C20H24N12O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H24N12O2S?
Yes, KEHONG BIO provides custom synthesis services for C20H24N12O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.