ChemDiv1_017845
TL;DR: ChemDiv1_017845 (CAS 312285-88-4) is a chemical compound with molecular formula C13H12N10O2S and molecular weight 372.08655 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carbohydrazide
Also Known As: ZERO/003076, BAS 01578296, 5-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-1-(4-amino-1,2,5-oxadiazol-3-yl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-Amino-1,2,5-oxadiazol-3-yl)-5-[(1H-1,3-benzimidazol-2-ylsulfanyl)methyl]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1H-benzimidazol-2-ylsulfanylmethyl)triazole-4-carbohydrazide
Technical Specifications
| Molecular Formula | C13H12N10O2S |
| Molecular Weight | 372.08655 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.08655 Da |
| Heavy Atoms | 26 |
| Complexity | 515.0 |
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=C(N=NN3C4=NON=C4N)C(=O)NN |
| InChIKey | XEFKPFFRMVYMQK-UHFFFAOYSA-N |
Chemical Property Profile of ChemDiv1_017845
Property Insights of ChemDiv1_017845
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_017845. The TPSA of 205.0 Ų indicates high polarity, suggesting ChemDiv1_017845 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv1_017845 has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ChemDiv1_017845?
The CAS number of ChemDiv1_017845 is 312285-88-4.
What is the molecular formula of ChemDiv1_017845?
The molecular formula of ChemDiv1_017845 is C13H12N10O2S.
What is the molecular weight of ChemDiv1_017845?
The molecular weight of ChemDiv1_017845 is 372.08655 g/mol.
Where can I buy ChemDiv1_017845?
You can request a quote for ChemDiv1_017845 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ChemDiv1_017845?
Yes, CoreyChem provides custom synthesis services for ChemDiv1_017845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.