RefChem:424633
TL;DR: RefChem:424633 (CAS 329024-50-2) is a chemical compound with molecular formula C18H13BrN8O2 and molecular weight 452.03 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)-(3-bromophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide
Also Known As: SALOR-INT L211648-1EA, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-[(E)-(3-BROMOPHENYL)METHYLIDENE]-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-(3-BROMOPHENYL)METHYLIDENE)-4-PHENYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 631-862-1, RefChem:424633
| Molecular Formula | C18H13BrN8O2 |
|---|---|
| Molecular Weight | 452.03 g/mol |
| LogP | 2.4259 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 452.0345 |
| Heavy Atoms | 29 |
| Complexity | 1185.5615 |
Chemical Identifiers
| CAS Number | 329024-50-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N(N=N2)C3=NON=C3N)C(=O)N/N=C/C4=CC(=CC=C4)Br |
Product Overview
RefChem:424633 (CAS 329024-50-2), with molecular formula C18H13BrN8O2 and molecular weight 452.03 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(3-bromophenyl)methylideneamino]-5-phenyltriazole-4-carboxamide.
Chemical Property Profile of RefChem:424633
Property Insights of RefChem:424633
The XLogP value of 2.4259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:424633. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:424633. Following Lipinski's Rule of Five, RefChem:424633 has 2 hydrogen bond donor(s) and 8 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 RefChem:424633?
The CAS number of RefChem:424633 is 329024-50-2.
What is the molecular formula of RefChem:424633?
The molecular formula of RefChem:424633 is C18H13BrN8O2.
What is the molecular weight of RefChem:424633?
The molecular weight of RefChem:424633 is 452.03 g/mol.
Where can I buy RefChem:424633?
You can request a quote for RefChem:424633 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424633?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424633 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.