5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid
TL;DR: 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid (CAS 41383-01-1) is a chemical compound with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-diethyl-6-hydroxy-5-(phenyliminomethyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid, 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-[(phenylamino)methylene]-2-thioxo-, 5-anilinomethylene-1,3-diethyl-2-thiobarbituric acid, 5-(anilinomethylidene)-1,3-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 4,6(1H,5H)-Pyrimidinedione, 1,3-diethyldihydro-5-((phenylamino)methylene)-2-thioxo-
| Molecular Formula | C15H17N3O2S |
|---|---|
| Molecular Weight | 303.10 g/mol |
| LogP | 2.87529 |
| Topological Polar Surface Area | 59.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 303.10416 |
| Heavy Atoms | 21 |
| Complexity | 775.9862 |
Chemical Identifiers
| CAS Number | 41383-01-1 |
|---|---|
| SMILES | CCN1C(=C(C(=O)N(C1=S)CC)C=NC2=CC=CC=C2)O |
Product Overview
5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid (CAS 41383-01-1), with molecular formula C15H17N3O2S and molecular weight 303.10 g/mol. IUPAC: 1,3-diethyl-6-hydroxy-5-(phenyliminomethyl)-2-sulfanylidenepyrimidin-4-one.
Chemical Property Profile of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid
Property Insights of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid
The XLogP value of 2.87529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid. With a topological polar surface area (TPSA) of 59.52 Ų, 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid has 1 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 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid?
The CAS number of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid is 41383-01-1.
What is the molecular formula of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid?
The molecular formula of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid is C15H17N3O2S.
What is the molecular weight of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid?
The molecular weight of 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid is 303.10 g/mol.
Where can I buy 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid?
You can request a quote for 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Anilinomethylene)-1,3-diethyl-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.