BAS 00451847
TL;DR: BAS 00451847 (CAS 324017-26-7) is a chemical compound with molecular formula C13H12N8O2 and molecular weight 312.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-methyltriazole-4-carboxamide
Also Known As: BAS 00451847, AI-020/10618020, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-N'-[(E)-phenylmethylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-methyltriazole-4-carboxamide, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-benzylidene-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C13H12N8O2 |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 0.30482 |
| Topological Polar Surface Area | 137.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.1083 |
| Heavy Atoms | 23 |
| Complexity | 851.999 |
Chemical Identifiers
| CAS Number | 324017-26-7 |
|---|---|
| SMILES | CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC=CC=C3 |
Product Overview
BAS 00451847 (CAS 324017-26-7), with molecular formula C13H12N8O2 and molecular weight 312.11 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-methyltriazole-4-carboxamide.
Chemical Property Profile of BAS 00451847
Property Insights of BAS 00451847
The XLogP value of 0.30482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00451847. The TPSA of 137.11 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00451847. Following Lipinski's Rule of Five, BAS 00451847 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 BAS 00451847?
The CAS number of BAS 00451847 is 324017-26-7.
What is the molecular formula of BAS 00451847?
The molecular formula of BAS 00451847 is C13H12N8O2.
What is the molecular weight of BAS 00451847?
The molecular weight of BAS 00451847 is 312.11 g/mol.
Where can I buy BAS 00451847?
You can request a quote for BAS 00451847 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00451847?
Yes, KEHONG BIO provides custom synthesis services for BAS 00451847 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.