![4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate structure](/static/products/5680/5680-58-0.webp)
4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
TL;DR: 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate (CAS 5680-58-0) is a chemical compound with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: 4-[[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate, 4-[[[2-(3H-benzooxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate, 4-[(2-{[(1,3-Benzoxazol-3-ium-2-yl)sulfanyl]acetyl}hydrazinylidene)methyl]benzoate
| Molecular Formula | C17H13N3O4S |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 0.8528 |
| Topological Polar Surface Area | 108.87 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.06268 |
| Heavy Atoms | 25 |
| Complexity | 901.47577 |
Chemical Identifiers
| CAS Number | 5680-58-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)[NH+]=C(O2)SCC(=O)NN=CC3=CC=C(C=C3)C(=O)[O-] |
Product Overview
4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate (CAS 5680-58-0), with molecular formula C17H13N3O4S and molecular weight 355.06 g/mol. IUPAC: 4-[[[2-(1,3-benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
Property Insights of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
The XLogP value of 0.8528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate. The TPSA of 108.87 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate. Following Lipinski's Rule of Five, 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate has 1 hydrogen bond donor(s) and 6 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 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate?
The CAS number of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate is 5680-58-0.
What is the molecular formula of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate?
The molecular formula of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate is C17H13N3O4S.
What is the molecular weight of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate?
The molecular weight of 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate is 355.06 g/mol.
Where can I buy 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate?
You can request a quote for 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[2-(1,3-Benzoxazol-3-ium-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.