(E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate
TL;DR: (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate (CAS 325699-72-7) is a chemical compound with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate
Also Known As: (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate, 4-[(1E)-[(carbamothioylamino)imino]methyl]phenyl pyridine-3-carboxylate, p-[(E)-thiosemicarbazidoidenemethyl]phenyl nicotinate, [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate, [4-[(carbamothioylhydrazinylidene)methyl]phenyl] Pyridine-3-carboxylate
| Molecular Formula | C14H12N4O2S |
|---|---|
| Molecular Weight | 300.07 g/mol |
| LogP | 1.4679 |
| Topological Polar Surface Area | 89.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.06808 |
| Heavy Atoms | 21 |
| Complexity | 656.434 |
Chemical Identifiers
| CAS Number | 325699-72-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)OC2=CC=C(C=C2)/C=N/NC(=S)N |
Product Overview
(E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate (CAS 325699-72-7), with molecular formula C14H12N4O2S and molecular weight 300.07 g/mol. IUPAC: [4-[(E)-(carbamothioylhydrazinylidene)methyl]phenyl] pyridine-3-carboxylate.
Chemical Property Profile of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate
Property Insights of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate
The XLogP value of 1.4679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate. The TPSA of 89.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate. Following Lipinski's Rule of Five, (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate has 2 hydrogen bond donor(s) and 5 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)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate?
The CAS number of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate is 325699-72-7.
What is the molecular formula of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate?
The molecular formula of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate is C14H12N4O2S.
What is the molecular weight of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate?
The molecular weight of (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate is 300.07 g/mol.
Where can I buy (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate?
You can request a quote for (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-carbamothioylhydrazono)methyl)phenyl nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.