Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)
TL;DR: Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) (CAS 64849-53-2) is a chemical compound with molecular formula C17H18N6S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-[(E)-[(1E)-1-(phenylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea
Also Known As: MGBPT, Methylglyoxal bis(4-phenyl-3-thiosemicarbazone), methylglyoxal-bis(4-phenyl-3-thiosemicarbazon), 1,2-Propanedione bis(4-phenylthiosemicarbazone), 1-phenyl-3-[(E)-[(1E)-1-(phenylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea
| Molecular Formula | C17H18N6S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 3.3213 |
| Topological Polar Surface Area | 72.84 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10342 |
| Heavy Atoms | 25 |
| Complexity | 759.2222 |
Chemical Identifiers
| CAS Number | 64849-53-2 |
|---|---|
| SMILES | C/C(=N\NC(=S)NC1=CC=CC=C1)/C=N/NC(=S)NC2=CC=CC=C2 |
Product Overview
Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) (CAS 64849-53-2), with molecular formula C17H18N6S2 and molecular weight 370.10 g/mol. IUPAC: 1-phenyl-3-[(E)-[(1E)-1-(phenylcarbamothioylhydrazinylidene)propan-2-ylidene]amino]thiourea.
Chemical Property Profile of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)
Property Insights of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)
The XLogP value of 3.3213 indicates that Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylglyoxal bis(4-phenyl-3-thiosemicarbazone). Following Lipinski's Rule of Five, Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) has 4 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 Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)?
The CAS number of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) is 64849-53-2.
What is the molecular formula of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)?
The molecular formula of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) is C17H18N6S2.
What is the molecular weight of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)?
The molecular weight of Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) is 370.10 g/mol.
Where can I buy Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)?
You can request a quote for Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylglyoxal bis(4-phenyl-3-thiosemicarbazone)?
Yes, KEHONG BIO provides custom synthesis services for Methylglyoxal bis(4-phenyl-3-thiosemicarbazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.