1-Ethylisatin-S-n-butylisothiosemicarbazone
TL;DR: 1-Ethylisatin-S-n-butylisothiosemicarbazone (CAS 39497-42-2) is a chemical compound with molecular formula C15H20N4OS and molecular weight 304.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
Also Known As: Zimet 189-69, Zimet-189-69, ZIMET 189/69, 1-Ethylisatin-S-n-butylisothiosemicarbazone, butyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
| Molecular Formula | C15H20N4OS |
|---|---|
| Molecular Weight | 304.14 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 304.13577 |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 39497-42-2 |
|---|---|
| SMILES | CCCCSC(=N)N=NC1=C(N(C2=CC=CC=C21)CC)O |
| InChIKey | XOMIGIIANRIZKR-UHFFFAOYSA-N |
Product Overview
1-Ethylisatin-S-n-butylisothiosemicarbazone (CAS 39497-42-2), with molecular formula C15H20N4OS and molecular weight 304.14 g/mol. IUPAC: butyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate.
Chemical Property Profile of 1-Ethylisatin-S-n-butylisothiosemicarbazone
Property Insights of 1-Ethylisatin-S-n-butylisothiosemicarbazone
The XLogP value of 4.6 indicates that 1-Ethylisatin-S-n-butylisothiosemicarbazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethylisatin-S-n-butylisothiosemicarbazone. Following Lipinski's Rule of Five, 1-Ethylisatin-S-n-butylisothiosemicarbazone has 2 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 1-Ethylisatin-S-n-butylisothiosemicarbazone?
The CAS number of 1-Ethylisatin-S-n-butylisothiosemicarbazone is 39497-42-2.
What is the molecular formula of 1-Ethylisatin-S-n-butylisothiosemicarbazone?
The molecular formula of 1-Ethylisatin-S-n-butylisothiosemicarbazone is C15H20N4OS.
What is the molecular weight of 1-Ethylisatin-S-n-butylisothiosemicarbazone?
The molecular weight of 1-Ethylisatin-S-n-butylisothiosemicarbazone is 304.14 g/mol.
Where can I buy 1-Ethylisatin-S-n-butylisothiosemicarbazone?
You can request a quote for 1-Ethylisatin-S-n-butylisothiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylisatin-S-n-butylisothiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylisatin-S-n-butylisothiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.