2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
TL;DR: 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CAS 28922-01-2) is a chemical compound with molecular formula C5H8N4O4 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Also Known As: (+)-Hexahydro-2-(nitroimino)-4-pyrimidinecarboxylic acid, 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid, 2-(nitroamino)-3,4,5,6-tetrahydropyrimidine-4-carboxylic acid, 4-Pyrimidinecarboxylic acid, hexahydro-2-(nitroimino)-, (+)- (8CI)
| Molecular Formula | C5H8N4O4 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.05455 |
| Heavy Atoms | 13 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 28922-01-2 |
|---|---|
| SMILES | C1CN=C(NC1C(=O)O)N[N+](=O)[O-] |
| InChIKey | HFIFDYDAFNLBCX-UHFFFAOYSA-N |
Product Overview
2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid (CAS 28922-01-2), with molecular formula C5H8N4O4 and molecular weight 188.05 g/mol. IUPAC: 2-nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid.
Chemical Property Profile of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Property Insights of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
The XLogP value of -0.8 indicates that 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid. Following Lipinski's Rule of Five, 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid has 3 hydrogen bond donor(s) and 5 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 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The CAS number of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is 28922-01-2.
What is the molecular formula of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The molecular formula of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is C5H8N4O4.
What is the molecular weight of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
The molecular weight of 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid is 188.05 g/mol.
Where can I buy 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
You can request a quote for 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitramido-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.