Thiobarbituric acid-furan analogue 25
TL;DR: Thiobarbituric acid-furan analogue 25 (CAS 300808-80-4) is a chemical compound with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: Thiobarbituric acid-furan analogue 25, BAS 00281583, AB00086722-01, 5-((5-(4-Chlorophenyl)furan-2-yl)methylene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
| Molecular Formula | C15H9ClN2O3S |
|---|---|
| Molecular Weight | 332.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.00223 |
| Heavy Atoms | 22 |
| Complexity | 507.0 |
Chemical Identifiers
| CAS Number | 300808-80-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC=C(O2)C=C3C(=O)NC(=S)NC3=O)Cl |
| InChIKey | NNWLPFQBLCNFON-UHFFFAOYSA-N |
Product Overview
Thiobarbituric acid-furan analogue 25 (CAS 300808-80-4), with molecular formula C15H9ClN2O3S and molecular weight 332.00 g/mol. IUPAC: 5-[[5-(4-chlorophenyl)furan-2-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of Thiobarbituric acid-furan analogue 25
Property Insights of Thiobarbituric acid-furan analogue 25
The XLogP value of 3.0 indicates that Thiobarbituric acid-furan analogue 25 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Thiobarbituric acid-furan analogue 25. Following Lipinski's Rule of Five, Thiobarbituric acid-furan analogue 25 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 Thiobarbituric acid-furan analogue 25?
The CAS number of Thiobarbituric acid-furan analogue 25 is 300808-80-4.
What is the molecular formula of Thiobarbituric acid-furan analogue 25?
The molecular formula of Thiobarbituric acid-furan analogue 25 is C15H9ClN2O3S.
What is the molecular weight of Thiobarbituric acid-furan analogue 25?
The molecular weight of Thiobarbituric acid-furan analogue 25 is 332.00 g/mol.
Where can I buy Thiobarbituric acid-furan analogue 25?
You can request a quote for Thiobarbituric acid-furan analogue 25 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thiobarbituric acid-furan analogue 25?
Yes, KEHONG BIO provides custom synthesis services for Thiobarbituric acid-furan analogue 25 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.