RefChem:509785
TL;DR: RefChem:509785 (CAS 478250-85-0) is a chemical compound with molecular formula C27H21FN8O5 and molecular weight 556.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate
Also Known As: 4-[(E)-({[1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-4-PHENYL-1H-1,2,3-TRIAZOL-5-YL]CARBONYL}HYDRAZONO)METHYL]-2-ETHOXYPHENYL 4-FLUOROBENZOATE, 4-((E)-(((1-(4-Amino-1,2,5-oxadiazol-3-YL)-4-phenyl-1H-1,2,3-triazol-5-YL)carbonyl)hydrazono)methyl)-2-ethoxyphenyl 4-fluorobenzoate, 631-871-0, RefChem:509785
| Molecular Formula | C27H21FN8O5 |
|---|---|
| Molecular Weight | 556.16 g/mol |
| LogP | 3.4204 |
| Topological Polar Surface Area | 172.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 556.16187 |
| Heavy Atoms | 41 |
| Complexity | 1717.577 |
Chemical Identifiers
| CAS Number | 478250-85-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=N/NC(=O)C2=C(N=NN2C3=NON=C3N)C4=CC=CC=C4)OC(=O)C5=CC=C(C=C5)F |
Product Overview
RefChem:509785 (CAS 478250-85-0), with molecular formula C27H21FN8O5 and molecular weight 556.16 g/mol. IUPAC: [4-[(E)-[[3-(4-amino-1,2,5-oxadiazol-3-yl)-5-phenyltriazole-4-carbonyl]hydrazinylidene]methyl]-2-ethoxyphenyl] 4-fluorobenzoate.
Chemical Property Profile of RefChem:509785
Property Insights of RefChem:509785
The XLogP value of 3.4204 indicates that RefChem:509785 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 172.64 Ų indicates high polarity, suggesting RefChem:509785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:509785 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:509785?
The CAS number of RefChem:509785 is 478250-85-0.
What is the molecular formula of RefChem:509785?
The molecular formula of RefChem:509785 is C27H21FN8O5.
What is the molecular weight of RefChem:509785?
The molecular weight of RefChem:509785 is 556.16 g/mol.
Where can I buy RefChem:509785?
You can request a quote for RefChem:509785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:509785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:509785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.