C18H17N9O4S2
TL;DR: C18H17N9O4S2 (CAS 487035-46-1) is a chemical compound with molecular formula C18H17N9O4S2 and molecular weight 487.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(((4,5-dihydrothiazol-2-yl)thio)methyl)-1H-1,2,3-triazole-4-carbonyl)hydrazono)methyl)benzoate, methyl 4-{(E)-[2-({1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazol-4-yl}carbonyl)hydrazinylidene]methyl}benzoate
| Molecular Formula | C18H17N9O4S2 |
|---|---|
| Molecular Weight | 487.08 g/mol |
| LogP | 1.119 |
| Topological Polar Surface Area | 175.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 487.0845 |
| Heavy Atoms | 33 |
| Complexity | 1219.9883 |
Chemical Identifiers
| CAS Number | 487035-46-1 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CSC4=NCCS4 |
Product Overview
C18H17N9O4S2 (CAS 487035-46-1), with molecular formula C18H17N9O4S2 and molecular weight 487.08 g/mol. IUPAC: methyl 4-[(E)-[[1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)triazole-4-carbonyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of C18H17N9O4S2
Property Insights of C18H17N9O4S2
The XLogP value of 1.119 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H17N9O4S2. The TPSA of 175.77 Ų indicates high polarity, suggesting C18H17N9O4S2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H17N9O4S2 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 C18H17N9O4S2?
The CAS number of C18H17N9O4S2 is 487035-46-1.
What is the molecular formula of C18H17N9O4S2?
The molecular formula of C18H17N9O4S2 is C18H17N9O4S2.
What is the molecular weight of C18H17N9O4S2?
The molecular weight of C18H17N9O4S2 is 487.08 g/mol.
Where can I buy C18H17N9O4S2?
You can request a quote for C18H17N9O4S2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H17N9O4S2?
Yes, KEHONG BIO provides custom synthesis services for C18H17N9O4S2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.