1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
TL;DR: 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one (CAS 302549-27-5) is a chemical compound with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1-butyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one
Also Known As: 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one, AB00096351-01, AF-399/12447082, 5-(1-butyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one, (Z)-1-butyl-3-(5-oxo-2-thioxoimidazolidin-4-ylidene)indolin-2-one
| Molecular Formula | C15H15N3O2S |
|---|---|
| Molecular Weight | 301.09 g/mol |
| LogP | 2.3508 |
| Topological Polar Surface Area | 66.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 301.0885 |
| Heavy Atoms | 21 |
| Complexity | 776.5619 |
Chemical Identifiers
| CAS Number | 302549-27-5 |
|---|---|
| SMILES | CCCCN1C2=CC=CC=C2C(=C1O)C3=NC(=S)NC3=O |
Product Overview
1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one (CAS 302549-27-5), with molecular formula C15H15N3O2S and molecular weight 301.09 g/mol. IUPAC: 5-(1-butyl-2-hydroxyindol-3-yl)-2-sulfanylideneimidazol-4-one.
Chemical Property Profile of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
Property Insights of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one
The XLogP value of 2.3508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one. The TPSA of 66.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one. Following Lipinski's Rule of Five, 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one has 2 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 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The CAS number of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is 302549-27-5.
What is the molecular formula of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The molecular formula of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is C15H15N3O2S.
What is the molecular weight of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
The molecular weight of 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one is 301.09 g/mol.
Where can I buy 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
You can request a quote for 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-3-(5-oxo-2-thioxo-4-imidazolidinylidene)-1,3-dihydro-2H-indol-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.