![3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate structure](/static/products/899/899401-21-9.png)
3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate
TL;DR: 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate (CAS 899401-21-9) is a chemical compound with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-[(E)-(carbamothioylhydrazinylidene)methyl]-4-oxochromen-7-yl] acetate
Also Known As: (E)-3-((2-carbamothioylhydrazono)methyl)-4-oxo-4H-chromen-7-yl acetate, [3-[(E)-(carbamothioylhydrazinylidene)methyl]-4-oxochromen-7-yl] acetate, 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate
| Molecular Formula | C13H11N3O4S |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 0.8854 |
| Topological Polar Surface Area | 106.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.04703 |
| Heavy Atoms | 21 |
| Complexity | 797.5932 |
Chemical Identifiers
| CAS Number | 899401-21-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)/C=N/NC(=S)N |
Product Overview
3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate (CAS 899401-21-9), with molecular formula C13H11N3O4S and molecular weight 305.05 g/mol. IUPAC: [3-[(E)-(carbamothioylhydrazinylidene)methyl]-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate
Property Insights of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 0.8854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate. The TPSA of 106.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate 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 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate is 899401-21-9.
What is the molecular formula of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate is C13H11N3O4S.
What is the molecular weight of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate is 305.05 g/mol.
Where can I buy 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-[(E)-(2-carbamothioylhydrazinylidene)methyl]-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.