(E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate
TL;DR: (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate (CAS 403830-00-2) is a chemical compound with molecular formula C15H11N5O6S and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate
Also Known As: F1006-0067, (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate, 2-[(1E)-[(carbamothioylamino)imino]methyl]phenyl 3,5-dinitrobenzoate, [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate, o-[(E)-thiosemicarbazidoidenemethyl]phenyl 3,5-dinitrobenzoate
| Molecular Formula | C15H11N5O6S |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 1.8893 |
| Topological Polar Surface Area | 162.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 389.043 |
| Heavy Atoms | 27 |
| Complexity | 929.21375 |
Chemical Identifiers
| CAS Number | 403830-00-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N/NC(=S)N)OC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
(E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate (CAS 403830-00-2), with molecular formula C15H11N5O6S and molecular weight 389.04 g/mol. IUPAC: [2-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] 3,5-dinitrobenzoate.
Chemical Property Profile of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate
Property Insights of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate
The XLogP value of 1.8893 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate. The TPSA of 162.99 Ų indicates high polarity, suggesting (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate has 2 hydrogen bond donor(s) and 8 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 (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate?
The CAS number of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate is 403830-00-2.
What is the molecular formula of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate?
The molecular formula of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate is C15H11N5O6S.
What is the molecular weight of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate?
The molecular weight of (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate is 389.04 g/mol.
Where can I buy (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate?
You can request a quote for (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((2-carbamothioylhydrazono)methyl)phenyl 3,5-dinitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.