N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide
TL;DR: N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide (CAS 314072-18-9) is a chemical compound with molecular formula C14H13N3OS and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(4-methylsulfanylphenyl)methylideneamino]pyridine-4-carboxamide
Also Known As: N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide, (E)-N'-(4-(methylthio)benzylidene)isonicotinohydrazide, N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}isonicotinohydrazide, N'-{(E)-[4-(methylsulfanyl)phenyl]methylidene}pyridine-4-carbohydrazide, N-[(E)-(4-methylsulfanylphenyl)methylideneamino]pyridine-4-carboxamide
| Molecular Formula | C14H13N3OS |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 2.5674 |
| Topological Polar Surface Area | 54.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.07794 |
| Heavy Atoms | 19 |
| Complexity | 567.00476 |
Chemical Identifiers
| CAS Number | 314072-18-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2 |
Product Overview
N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide (CAS 314072-18-9), with molecular formula C14H13N3OS and molecular weight 271.08 g/mol. IUPAC: N-[(E)-(4-methylsulfanylphenyl)methylideneamino]pyridine-4-carboxamide.
Chemical Property Profile of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide
Property Insights of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide
The XLogP value of 2.5674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide. With a topological polar surface area (TPSA) of 54.35 Ų, N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide has 1 hydrogen bond donor(s) and 4 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 N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide?
The CAS number of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide is 314072-18-9.
What is the molecular formula of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide?
The molecular formula of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide is C14H13N3OS.
What is the molecular weight of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide?
The molecular weight of N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide is 271.08 g/mol.
Where can I buy N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide?
You can request a quote for N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide?
Yes, KEHONG BIO provides custom synthesis services for N'-[4-(methylsulfanyl)benzylidene]isonicotinohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.