![(5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid structure](/static/products/116/1164544-70-0.png)
(5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid
TL;DR: (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid (CAS 1164544-70-0) is a chemical compound with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(furan-2-ylmethyl)-5-(furan-2-ylmethyliminomethyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid, (5E)-1-(furan-2-ylmethyl)-5-[(furan-2-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(2-furanylmethyl)-5-[(2-furanylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, 1-(furan-2-ylmethyl)-5-[(furan-2-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(furan-2-ylmethyl)-5-{[(furan-2-ylmethyl)amino]methylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C15H13N3O5 |
|---|---|
| Molecular Weight | 315.09 g/mol |
| LogP | 1.0956 |
| Topological Polar Surface Area | 113.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.0855 |
| Heavy Atoms | 23 |
| Complexity | 917.1757 |
Chemical Identifiers
| CAS Number | 1164544-70-0 |
|---|---|
| SMILES | C1=COC(=C1)CN=CC2=C(N(C(=O)NC2=O)CC3=CC=CO3)O |
Product Overview
(5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid (CAS 1164544-70-0), with molecular formula C15H13N3O5 and molecular weight 315.09 g/mol. IUPAC: 1-(furan-2-ylmethyl)-5-(furan-2-ylmethyliminomethyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid
Property Insights of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid
The XLogP value of 1.0956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid. The TPSA of 113.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid. Following Lipinski's Rule of Five, (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid has 2 hydrogen bond donor(s) and 6 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 (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid?
The CAS number of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid is 1164544-70-0.
What is the molecular formula of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid?
The molecular formula of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid is C15H13N3O5.
What is the molecular weight of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid?
The molecular weight of (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid is 315.09 g/mol.
Where can I buy (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid?
You can request a quote for (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(2-furfuryl)-5-[(2-furfurylamino)methylene]barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.