5-Nitro-1,3,6-trimethyluracil
TL;DR: 5-Nitro-1,3,6-trimethyluracil (CAS 55738-20-0) is a chemical compound with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,6-trimethyl-5-nitropyrimidine-2,4-dione
Also Known As: 1,3,6-trimethyl-5-nitropyrimidine-2,4(1h,3h)-dione, 1,3,6-Trimethyl-5-nitrouracil, 1,3,6-trimethyl-5-nitropyrimidine-2,4-dione, 5-NITRO-1,3,6-TRIMETHYLURACIL, KST-1B5568
| Molecular Formula | C7H9N3O4 |
|---|---|
| Molecular Weight | 199.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 86.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.05931 |
| Heavy Atoms | 14 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 55738-20-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(C(=O)N1C)C)[N+](=O)[O-] |
| InChIKey | OSTDULKDQDIIKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-1,3,6-trimethyluracil (CAS 55738-20-0), with molecular formula C7H9N3O4 and molecular weight 199.06 g/mol. IUPAC: 1,3,6-trimethyl-5-nitropyrimidine-2,4-dione.
Chemical Property Profile of 5-Nitro-1,3,6-trimethyluracil
Property Insights of 5-Nitro-1,3,6-trimethyluracil
The XLogP value of -0.2 indicates that 5-Nitro-1,3,6-trimethyluracil is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-1,3,6-trimethyluracil. Following Lipinski's Rule of Five, 5-Nitro-1,3,6-trimethyluracil has 0 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-Nitro-1,3,6-trimethyluracil?
The CAS number of 5-Nitro-1,3,6-trimethyluracil is 55738-20-0.
What is the molecular formula of 5-Nitro-1,3,6-trimethyluracil?
The molecular formula of 5-Nitro-1,3,6-trimethyluracil is C7H9N3O4.
What is the molecular weight of 5-Nitro-1,3,6-trimethyluracil?
The molecular weight of 5-Nitro-1,3,6-trimethyluracil is 199.06 g/mol.
Where can I buy 5-Nitro-1,3,6-trimethyluracil?
You can request a quote for 5-Nitro-1,3,6-trimethyluracil directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-1,3,6-trimethyluracil?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-1,3,6-trimethyluracil and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.