2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
TL;DR: 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate (CAS 56357-60-9) 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.
2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
Also Known As: 2-methylpropyl N'-[(1-ethyl-2-oxoindol-3-ylidene)amino]carbamimidothioate, 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate, 3-[(Z)-(1-ethyl-2-oxo-indolin-3-ylidene)amino]-2-isobutyl-isothiourea, 2-Methylpropyl N'-(1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)carbamohydrazonothioate, Isobutyl N'-[(3Z)-1-ethyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]hydrazonothiocarbamate
| 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 | 6 |
| Exact Mass | 304.13577 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 56357-60-9 |
|---|---|
| SMILES | CCN1C2=CC=CC=C2C(=C1O)N=NC(=N)SCC(C)C |
| InChIKey | ANNZWSAGXKFSDU-UHFFFAOYSA-N |
Product Overview
2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate (CAS 56357-60-9), with molecular formula C15H20N4OS and molecular weight 304.14 g/mol. IUPAC: 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate.
Chemical Property Profile of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
Property Insights of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate
The XLogP value of 4.6 indicates that 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate 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 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate. Following Lipinski's Rule of Five, 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate 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 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate?
The CAS number of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate is 56357-60-9.
What is the molecular formula of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate?
The molecular formula of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate is C15H20N4OS.
What is the molecular weight of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate?
The molecular weight of 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate is 304.14 g/mol.
Where can I buy 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate?
You can request a quote for 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl N-(1-ethyl-2-hydroxyindol-3-yl)iminocarbamimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.