4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)
TL;DR: 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) (CAS 95297-83-9) is a chemical compound with molecular formula C15H20N6O2S2 and molecular weight 380.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[(Z)-N-(methylcarbamothioylamino)-C-[(E)-(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]phenyl]propanoic acid
Also Known As: CE-Dts, 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone), Benzenepropanoic acid, 4-(1,2-bis(((methylamino)thioxomethyl)hydrazono)ethyl)-, 3-[4-[(Z)-N-(methylcarbamothioylamino)-C-[(E)-(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]phenyl]propanoic acid, RefChem:98277
| Molecular Formula | C15H20N6O2S2 |
|---|---|
| Molecular Weight | 380.11 g/mol |
| LogP | 0.5815 |
| Topological Polar Surface Area | 110.14 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 380.10892 |
| Heavy Atoms | 25 |
| Complexity | 673.10406 |
Chemical Identifiers
| CAS Number | 95297-83-9 |
|---|---|
| SMILES | CNC(=S)N/N=C/C(=N\NC(=S)NC)/C1=CC=C(C=C1)CCC(=O)O |
Product Overview
4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) (CAS 95297-83-9), with molecular formula C15H20N6O2S2 and molecular weight 380.11 g/mol. IUPAC: 3-[4-[(Z)-N-(methylcarbamothioylamino)-C-[(E)-(methylcarbamothioylhydrazinylidene)methyl]carbonimidoyl]phenyl]propanoic acid.
Chemical Property Profile of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)
Property Insights of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)
The XLogP value of 0.5815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone). The TPSA of 110.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone). Following Lipinski's Rule of Five, 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) has 5 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 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)?
The CAS number of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) is 95297-83-9.
What is the molecular formula of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)?
The molecular formula of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) is C15H20N6O2S2.
What is the molecular weight of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)?
The molecular weight of 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) is 380.11 g/mol.
Where can I buy 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)?
You can request a quote for 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone)?
Yes, KEHONG BIO provides custom synthesis services for 4-Carboxyethylphenylglyoxal-bis(N-methylthiosemicarbazone) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.