![2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate structure](/static/products/385/385405-30-1.png)
2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate
TL;DR: 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate (CAS 385405-30-1) is a chemical compound with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-5-(diethylazaniumyl)phenolate
Also Known As: 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate, 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-5-(diethylazaniumyl)phenolate, 2-[[(2-benzooxazol-2-ylsulfanylacetyl)hydrazinylidene]methyl]-5-diethylammonio-phenolate
| Molecular Formula | C20H22N4O3S |
|---|---|
| Molecular Weight | 398.14 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.14127 |
| Heavy Atoms | 28 |
| Complexity | 949.49615 |
Chemical Identifiers
| CAS Number | 385405-30-1 |
|---|---|
| SMILES | CC[NH+](CC)C1=CC(=C(C=C1)/C=N/NC(=O)CSC2=NC3=CC=CC=C3O2)[O-] |
Product Overview
2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate (CAS 385405-30-1), with molecular formula C20H22N4O3S and molecular weight 398.14 g/mol. IUPAC: 2-[(E)-[[2-(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene]methyl]-5-(diethylazaniumyl)phenolate.
Chemical Property Profile of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate
Property Insights of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate. The TPSA of 94.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate. Following Lipinski's Rule of Five, 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate has 2 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 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate?
The CAS number of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate is 385405-30-1.
What is the molecular formula of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate?
The molecular formula of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate is C20H22N4O3S.
What is the molecular weight of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate?
The molecular weight of 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate is 398.14 g/mol.
Where can I buy 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate?
You can request a quote for 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-{2-[(1,3-benzoxazol-2-ylsulfanyl)acetyl]hydrazinylidene}methyl]-5-(diethylammonio)phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.