C18H17N11O5S
TL;DR: C18H17N11O5S (CAS 862116-72-1) is a chemical compound with molecular formula C18H17N11O5S and molecular weight 499.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid
Also Known As: (E)-2-(4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4-methyl-4H-1,2,4-triazol-3-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)phenoxy)acetic acid
| Molecular Formula | C18H17N11O5S |
|---|---|
| Molecular Weight | 499.11 g/mol |
| LogP | -0.1194 |
| Topological Polar Surface Area | 214.35 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.1135 |
| Heavy Atoms | 35 |
| Complexity | 1361.3508 |
Chemical Identifiers
| CAS Number | 862116-72-1 |
|---|---|
| SMILES | CN1C=NN=C1SCC2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OCC(=O)O |
Product Overview
C18H17N11O5S (CAS 862116-72-1), with molecular formula C18H17N11O5S and molecular weight 499.11 g/mol. IUPAC: 2-[4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]triazole-4-carbonyl]hydrazinylidene]methyl]phenoxy]acetic acid.
Chemical Property Profile of C18H17N11O5S
Property Insights of C18H17N11O5S
The XLogP value of -0.1194 indicates that C18H17N11O5S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 214.35 Ų indicates high polarity, suggesting C18H17N11O5S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H17N11O5S has 3 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 C18H17N11O5S?
The CAS number of C18H17N11O5S is 862116-72-1.
What is the molecular formula of C18H17N11O5S?
The molecular formula of C18H17N11O5S is C18H17N11O5S.
What is the molecular weight of C18H17N11O5S?
The molecular weight of C18H17N11O5S is 499.11 g/mol.
Where can I buy C18H17N11O5S?
You can request a quote for C18H17N11O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17N11O5S?
Yes, KEHONG BIO provides custom synthesis services for C18H17N11O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.