RefChem:488831
TL;DR: RefChem:488831 (CAS 478250-74-7) is a chemical compound with molecular formula C25H17N9O6 and molecular weight 539.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
Also Known As: Salor-int l211818-1ea, 3-[(E)-(2-{[1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-4-PHENYL-1H-1,2,3-TRIAZOL-5-YL]CARBONYL}HYDRAZONO)METHYL]PHENYL 4-NITROBENZOATE, 3-((E)-(2-((1-(4-Amino-1,2,5-oxadiazol-3-YL)-4-phenyl-1H-1,2,3-triazol-5-YL)carbonyl)hydrazono)methyl)phenyl 4-nitrobenzoate, 631-876-8, RefChem:488831
| Molecular Formula | C25H17N9O6 |
|---|---|
| Molecular Weight | 539.13 g/mol |
| LogP | 2.7908 |
| Topological Polar Surface Area | 206.55 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.1302 |
| Heavy Atoms | 40 |
| Complexity | 1729.2909 |
Chemical Identifiers
| CAS Number | 478250-74-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)OC(=O)C5=CC=C(C=C5)[N+](=O)[O-] |
Product Overview
RefChem:488831 (CAS 478250-74-7), with molecular formula C25H17N9O6 and molecular weight 539.13 g/mol. IUPAC: [3-[(E)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate.
Chemical Property Profile of RefChem:488831
Property Insights of RefChem:488831
The XLogP value of 2.7908 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:488831. The TPSA of 206.55 Ų indicates high polarity, suggesting RefChem:488831 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:488831 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 RefChem:488831?
The CAS number of RefChem:488831 is 478250-74-7.
What is the molecular formula of RefChem:488831?
The molecular formula of RefChem:488831 is C25H17N9O6.
What is the molecular weight of RefChem:488831?
The molecular weight of RefChem:488831 is 539.13 g/mol.
Where can I buy RefChem:488831?
You can request a quote for RefChem:488831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:488831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:488831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.