RefChem:424675
TL;DR: RefChem:424675 (CAS 478250-48-5) is a chemical compound with molecular formula C13H11BrN8O2 and molecular weight 390.02 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-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: SALOR-INT L211508-1EA, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-N'-((E)-(4-BROMOPHENYL)METHYLIDENE)-4-METHYL-1H-1,2,3-TRIAZOLE-5-CARBOHYDRAZIDE, 1-(4-Amino-1,2,5-oxadiazol-3-YL)-N'-[(E)-(4-bromophenyl)methylidene]-4-methyl-1H-1,2,3-triazole-5-carbohydrazide, 632-325-4, RefChem:424675
| Molecular Formula | C13H11BrN8O2 |
|---|---|
| Molecular Weight | 390.02 g/mol |
| LogP | 1.06732 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.01883 |
| Heavy Atoms | 24 |
| Complexity | 899.0949 |
Chemical Identifiers
| CAS Number | 478250-48-5 |
|---|---|
| SMILES | CC1=C(N(N=N1)C2=NON=C2N)C(=O)N/N=C/C3=CC=C(C=C3)Br |
Product Overview
RefChem:424675 (CAS 478250-48-5), with molecular formula C13H11BrN8O2 and molecular weight 390.02 g/mol. IUPAC: 3-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-(4-bromophenyl)methylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of RefChem:424675
Property Insights of RefChem:424675
The XLogP value of 1.06732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:424675. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:424675. Following Lipinski's Rule of Five, RefChem:424675 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:424675?
The CAS number of RefChem:424675 is 478250-48-5.
What is the molecular formula of RefChem:424675?
The molecular formula of RefChem:424675 is C13H11BrN8O2.
What is the molecular weight of RefChem:424675?
The molecular weight of RefChem:424675 is 390.02 g/mol.
Where can I buy RefChem:424675?
You can request a quote for RefChem:424675 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:424675?
Yes, KEHONG BIO provides custom synthesis services for RefChem:424675 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.