N-Methylisatin beta-4',4'-diethylthiosemicarbazone
TL;DR: N-Methylisatin beta-4',4'-diethylthiosemicarbazone (CAS 6452-15-9) is a chemical compound with molecular formula C14H18N4OS and molecular weight 290.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-diethyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
Also Known As: M-Ibdet, N-Methylisatin beta-4',4'-diethylthiosemicarbazone, N-methylisatinbeta-4',4'-diethylthiosemicarbazone, 1,1-diethyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea, 1-Methylisatin-.beta.-4':4'-diethylthiosemicarbazone
| Molecular Formula | C14H18N4OS |
|---|---|
| Molecular Weight | 290.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.12012 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 6452-15-9 |
|---|---|
| SMILES | CCN(CC)C(=S)N=NC1=C(N(C2=CC=CC=C21)C)O |
| InChIKey | XNWXFGJUFDVUDY-UHFFFAOYSA-N |
Product Overview
N-Methylisatin beta-4',4'-diethylthiosemicarbazone (CAS 6452-15-9), with molecular formula C14H18N4OS and molecular weight 290.12 g/mol. IUPAC: 1,1-diethyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea.
Chemical Property Profile of N-Methylisatin beta-4',4'-diethylthiosemicarbazone
Property Insights of N-Methylisatin beta-4',4'-diethylthiosemicarbazone
The XLogP value of 3.3 indicates that N-Methylisatin beta-4',4'-diethylthiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Methylisatin beta-4',4'-diethylthiosemicarbazone. Following Lipinski's Rule of Five, N-Methylisatin beta-4',4'-diethylthiosemicarbazone has 1 hydrogen bond donor(s) and 3 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-Methylisatin beta-4',4'-diethylthiosemicarbazone?
The CAS number of N-Methylisatin beta-4',4'-diethylthiosemicarbazone is 6452-15-9.
What is the molecular formula of N-Methylisatin beta-4',4'-diethylthiosemicarbazone?
The molecular formula of N-Methylisatin beta-4',4'-diethylthiosemicarbazone is C14H18N4OS.
What is the molecular weight of N-Methylisatin beta-4',4'-diethylthiosemicarbazone?
The molecular weight of N-Methylisatin beta-4',4'-diethylthiosemicarbazone is 290.12 g/mol.
Where can I buy N-Methylisatin beta-4',4'-diethylthiosemicarbazone?
You can request a quote for N-Methylisatin beta-4',4'-diethylthiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylisatin beta-4',4'-diethylthiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for N-Methylisatin beta-4',4'-diethylthiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.