1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid
TL;DR: 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid (CAS 92298-06-1) is a chemical compound with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-25-16-00098 (Beilstein Handbook Reference), 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid, BARBITURIC ACID, 1-(p-CHLOROPHENYL)-5-(2-(DIMETHYLAMINO)ETHYL)-2-THIO-, 1-(4-chlorophenyl)-5-(2-dimethylaminoethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione, 1-(4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C14H16ClN3O2S |
|---|---|
| Molecular Weight | 325.07 g/mol |
| LogP | 1.6556 |
| Topological Polar Surface Area | 52.65 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.0652 |
| Heavy Atoms | 21 |
| Complexity | 574.0868 |
Chemical Identifiers
| CAS Number | 92298-06-1 |
|---|---|
| SMILES | CN(C)CCC1C(=O)NC(=S)N(C1=O)C2=CC=C(C=C2)Cl |
Product Overview
1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid (CAS 92298-06-1), with molecular formula C14H16ClN3O2S and molecular weight 325.07 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[2-(dimethylamino)ethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid
Property Insights of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid
The XLogP value of 1.6556 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid. With a topological polar surface area (TPSA) of 52.65 Ų, 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-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 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid?
The CAS number of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid is 92298-06-1.
What is the molecular formula of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid?
The molecular formula of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid is C14H16ClN3O2S.
What is the molecular weight of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid?
The molecular weight of 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid is 325.07 g/mol.
Where can I buy 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid?
You can request a quote for 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-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 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(p-Chlorophenyl)-5-(2-(dimethylamino)ethyl)-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.