RefChem:424661
TL;DR: RefChem:424661 (CAS 478250-72-5) is a chemical compound with molecular formula C25H19BrN8O3 and molecular weight 558.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{4-[(4-BROMOBENZYL)OXY]PHENYL}METHYLIDENE)-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-(4-((4-BROMOBENZYL)OXY)PHENYL)METHYLIDENE)-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 631-883-6, RefChem:424661
| Molecular Formula | C25H19BrN8O3 |
|---|---|
| Molecular Weight | 558.08 g/mol |
| LogP | 4.0049 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 558.07635 |
| Heavy Atoms | 37 |
| Complexity | 1530.7338 |
Chemical Identifiers
| CAS Number | 478250-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=CC=C(C=C4)OCC5=CC=C(C=C5)Br |
Product Overview
RefChem:424661 (CAS 478250-72-5), with molecular formula C25H19BrN8O3 and molecular weight 558.08 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of RefChem:424661
Property Insights of RefChem:424661
The XLogP value of 4.0049 indicates that RefChem:424661 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.34 Ų indicates high polarity, suggesting RefChem:424661 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:424661 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:424661?
The CAS number of RefChem:424661 is 478250-72-5.
What is the molecular formula of RefChem:424661?
The molecular formula of RefChem:424661 is C25H19BrN8O3.
What is the molecular weight of RefChem:424661?
The molecular weight of RefChem:424661 is 558.08 g/mol.
Where can I buy RefChem:424661?
You can request a quote for RefChem:424661 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424661?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424661 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.