5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione (CAS 14859-93-9) is a chemical compound with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(hydroxyiminomethyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione, (5E)-5-[(hydroxyamino)methylidene]pyrimidine-2,4-dione
| Molecular Formula | C5H5N3O3 |
|---|---|
| Molecular Weight | 155.03 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 155.0331 |
| Heavy Atoms | 11 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 14859-93-9 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)C=NO |
| InChIKey | VBGVWIZIDMFPKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione (CAS 14859-93-9), with molecular formula C5H5N3O3 and molecular weight 155.03 g/mol. IUPAC: 5-(hydroxyiminomethyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of -0.8 indicates that 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione has 3 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 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione is 14859-93-9.
What is the molecular formula of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione is C5H5N3O3.
What is the molecular weight of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione is 155.03 g/mol.
Where can I buy 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-hydroxyiminomethyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.