RefChem:424602
TL;DR: RefChem:424602 (CAS 478250-71-4) is a chemical compound with molecular formula C25H17Cl2N9O5 and molecular weight 593.07 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)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-{2-[(2,6-DICHLOROBENZYL)OXY]-5-NITROPHENYL}METHYLIDENE)-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-(2-((2,6-DICHLOROBENZYL)OXY)-5-NITROPHENYL)METHYLIDENE)-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 631-882-0, RefChem:424602
| Molecular Formula | C25H17Cl2N9O5 |
|---|---|
| Molecular Weight | 593.07 g/mol |
| LogP | 4.4574 |
| Topological Polar Surface Area | 189.48 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 593.073 |
| Heavy Atoms | 41 |
| Complexity | 1752.3716 |
Chemical Identifiers
| CAS Number | 478250-71-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=C(C=CC(=C4)[N+](=O)[O-])OCC5=C(C=CC=C5Cl)Cl |
Product Overview
RefChem:424602 (CAS 478250-71-4), with molecular formula C25H17Cl2N9O5 and molecular weight 593.07 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-[2-[(2,6-dichlorophenyl)methoxy]-5-nitrophenyl]methylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of RefChem:424602
Property Insights of RefChem:424602
The XLogP value of 4.4574 indicates that RefChem:424602 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 189.48 Ų indicates high polarity, suggesting RefChem:424602 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:424602 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:424602?
The CAS number of RefChem:424602 is 478250-71-4.
What is the molecular formula of RefChem:424602?
The molecular formula of RefChem:424602 is C25H17Cl2N9O5.
What is the molecular weight of RefChem:424602?
The molecular weight of RefChem:424602 is 593.07 g/mol.
Where can I buy RefChem:424602?
You can request a quote for RefChem:424602 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424602?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424602 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.