4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid
TL;DR: 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid (CAS 197571-70-3) is a chemical compound with molecular formula C7H9N5O3 and molecular weight 211.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4,6-diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid
Also Known As: 4-(4,6-diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid, 4-(4,6-diamino-1,3,5-triazin-2-yl)-4-oxobutanoicacid, 4,6-DIAMINO-GAMMA-OXO-1,3,5-TRIAZINE-2-BUTYRIC ACID
| Molecular Formula | C7H9N5O3 |
|---|---|
| Molecular Weight | 211.07 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.07054 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 197571-70-3 |
|---|---|
| SMILES | C(CC(=O)O)C(=O)C1=NC(=NC(=N1)N)N |
| InChIKey | XDGLKUCMBMTZGN-UHFFFAOYSA-N |
Product Overview
4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid (CAS 197571-70-3), with molecular formula C7H9N5O3 and molecular weight 211.07 g/mol. IUPAC: 4-(4,6-diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid.
Chemical Property Profile of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid
Property Insights of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid
The XLogP value of -1.3 indicates that 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.0 Ų indicates high polarity, suggesting 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 8 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 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid?
The CAS number of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid is 197571-70-3.
What is the molecular formula of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid?
The molecular formula of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid is C7H9N5O3.
What is the molecular weight of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid?
The molecular weight of 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid is 211.07 g/mol.
Where can I buy 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid?
You can request a quote for 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4,6-Diamino-1,3,5-triazin-2-yl)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.