Busatin
TL;DR: Busatin (CAS 4553-10-0) is a chemical compound with molecular formula C18H26N4OS and molecular weight 346.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1-dibutyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
Also Known As: Busatin, N-Methylisatin beta-4':4'-dibutylthiosemicarbazone, INDOLE-2,3-DIONE, 1-METHYL-, 3-(4,4-DIBUTYL-3-THIOSEMICARBAZONE), 1,1-dibutyl-3-[(1-methyl-2-oxoindol-3-ylidene)amino]thiourea, 1,1-dibutyl-3-[(E)-(1-methyl-2-oxoindol-3-ylidene)amino]thiourea
| Molecular Formula | C18H26N4OS |
|---|---|
| Molecular Weight | 346.18 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.18274 |
| Heavy Atoms | 24 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 4553-10-0 |
|---|---|
| SMILES | CCCCN(CCCC)C(=S)N=NC1=C(N(C2=CC=CC=C21)C)O |
| InChIKey | TVSIDOISFLKYAC-UHFFFAOYSA-N |
Product Overview
Busatin (CAS 4553-10-0), with molecular formula C18H26N4OS and molecular weight 346.18 g/mol. IUPAC: 1,1-dibutyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea.
Chemical Property Profile of Busatin
Property Insights of Busatin
The XLogP value of 5.1 indicates that Busatin 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 Busatin. Following Lipinski's Rule of Five, Busatin has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Busatin?
The CAS number of Busatin is 4553-10-0.
What is the molecular formula of Busatin?
The molecular formula of Busatin is C18H26N4OS.
What is the molecular weight of Busatin?
The molecular weight of Busatin is 346.18 g/mol.
Where can I buy Busatin?
You can request a quote for Busatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Busatin?
Yes, KEHONG BIO provides custom synthesis services for Busatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.