1,3-Dibutyl-2-thiobarbituric acid
TL;DR: 1,3-Dibutyl-2-thiobarbituric acid (CAS 54443-89-9) is a chemical compound with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 1,3-Dibutyl-2-thiobarbituric acid, 1,3-Di-n-Butyl-2-Thiobarbituric Acid, 1,3-DBTB, 1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione, 1,3-Dibutyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C12H20N2O2S |
|---|---|
| Molecular Weight | 256.12 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.12454 |
| Heavy Atoms | 17 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 54443-89-9 |
|---|---|
| SMILES | CCCCN1C(=O)CC(=O)N(C1=S)CCCC |
| InChIKey | JNFBSDIDVPDZHB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dibutyl-2-thiobarbituric acid (CAS 54443-89-9), with molecular formula C12H20N2O2S and molecular weight 256.12 g/mol. IUPAC: 1,3-dibutyl-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 1,3-Dibutyl-2-thiobarbituric acid
Property Insights of 1,3-Dibutyl-2-thiobarbituric acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dibutyl-2-thiobarbituric acid. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dibutyl-2-thiobarbituric acid. Following Lipinski's Rule of Five, 1,3-Dibutyl-2-thiobarbituric acid has 0 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 1,3-Dibutyl-2-thiobarbituric acid?
The CAS number of 1,3-Dibutyl-2-thiobarbituric acid is 54443-89-9.
What is the molecular formula of 1,3-Dibutyl-2-thiobarbituric acid?
The molecular formula of 1,3-Dibutyl-2-thiobarbituric acid is C12H20N2O2S.
What is the molecular weight of 1,3-Dibutyl-2-thiobarbituric acid?
The molecular weight of 1,3-Dibutyl-2-thiobarbituric acid is 256.12 g/mol.
Where can I buy 1,3-Dibutyl-2-thiobarbituric acid?
You can request a quote for 1,3-Dibutyl-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 1,3-Dibutyl-2-thiobarbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dibutyl-2-thiobarbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.