![methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate structure](/static/products/359/359619-13-9.png)
methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate
TL;DR: methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate (CAS 359619-13-9) is a chemical compound with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate
Also Known As: methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate, (E)-methyl 4-((2-(2-(benzo[d]oxazol-2-ylthio)acetyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate, methyl 4-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]benzoate
| Molecular Formula | C18H15N3O4S |
|---|---|
| Molecular Weight | 369.08 g/mol |
| LogP | 2.8568 |
| Topological Polar Surface Area | 93.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.07834 |
| Heavy Atoms | 26 |
| Complexity | 917.48444 |
Chemical Identifiers
| CAS Number | 359619-13-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2 |
Product Overview
methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate (CAS 359619-13-9), with molecular formula C18H15N3O4S and molecular weight 369.08 g/mol. IUPAC: methyl 4-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate
Property Insights of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate
The XLogP value of 2.8568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate. The TPSA of 93.79 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate has 1 hydrogen bond donor(s) and 7 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 methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate?
The CAS number of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate is 359619-13-9.
What is the molecular formula of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate?
The molecular formula of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate is C18H15N3O4S.
What is the molecular weight of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate?
The molecular weight of methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate is 369.08 g/mol.
Where can I buy methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate?
You can request a quote for methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(1E)-2-(2-benzoxazol-2-ylthioacetylamino)-2-azavinyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.