C19H17N7O5S
TL;DR: C19H17N7O5S (CAS 348587-60-0) is a chemical compound with molecular formula C19H17N7O5S and molecular weight 455.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide
Also Known As: (E)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(1-(4-nitrophenyl)ethylidene)acetohydrazide, 2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E)-1-(4-nitrophenyl)ethylidene]acetohydrazide
| Molecular Formula | C19H17N7O5S |
|---|---|
| Molecular Weight | 455.10 g/mol |
| LogP | 2.931 |
| Topological Polar Surface Area | 158.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.1012 |
| Heavy Atoms | 32 |
| Complexity | 1207.0305 |
Chemical Identifiers
| CAS Number | 348587-60-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(N1C)C2=CC(=CC=C2)[N+](=O)[O-])/C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
C19H17N7O5S (CAS 348587-60-0), with molecular formula C19H17N7O5S and molecular weight 455.10 g/mol. IUPAC: 2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-(4-nitrophenyl)ethylideneamino]acetamide.
Chemical Property Profile of C19H17N7O5S
Property Insights of C19H17N7O5S
The XLogP value of 2.931 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C19H17N7O5S. The TPSA of 158.45 Ų indicates high polarity, suggesting C19H17N7O5S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C19H17N7O5S has 1 hydrogen bond donor(s) and 9 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 C19H17N7O5S?
The CAS number of C19H17N7O5S is 348587-60-0.
What is the molecular formula of C19H17N7O5S?
The molecular formula of C19H17N7O5S is C19H17N7O5S.
What is the molecular weight of C19H17N7O5S?
The molecular weight of C19H17N7O5S is 455.10 g/mol.
Where can I buy C19H17N7O5S?
You can request a quote for C19H17N7O5S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C19H17N7O5S?
Yes, KEHONG BIO provides custom synthesis services for C19H17N7O5S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.