11A-076
TL;DR: 11A-076 (CAS 47306-94-5) is a chemical compound with molecular formula C13H14N4O6 and molecular weight 322.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 11A-076, 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-[(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)methylene]-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C13H14N4O6 |
|---|---|
| Molecular Weight | 322.09 g/mol |
| LogP | -1.7766 |
| Topological Polar Surface Area | 121.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 322.09134 |
| Heavy Atoms | 23 |
| Complexity | 864.9514 |
Chemical Identifiers
| CAS Number | 47306-94-5 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)C=C2C(=O)N(C(=O)N(C2=O)C)C)O |
Product Overview
11A-076 (CAS 47306-94-5), with molecular formula C13H14N4O6 and molecular weight 322.09 g/mol. IUPAC: 5-[(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 11A-076
Property Insights of 11A-076
The XLogP value of -1.7766 indicates that 11A-076 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 11A-076. Following Lipinski's Rule of Five, 11A-076 has 1 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 11A-076?
The CAS number of 11A-076 is 47306-94-5.
What is the molecular formula of 11A-076?
The molecular formula of 11A-076 is C13H14N4O6.
What is the molecular weight of 11A-076?
The molecular weight of 11A-076 is 322.09 g/mol.
Where can I buy 11A-076?
You can request a quote for 11A-076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11A-076?
Yes, KEHONG BIO provides custom synthesis services for 11A-076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.