2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
TL;DR: 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid (CAS 54522-09-7) is a chemical compound with molecular formula C6H6BrN3O4 and molecular weight 262.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
Also Known As: KST-1A5832, (6-amino-5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)acetic acid, 2-(6-amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
| Molecular Formula | C6H6BrN3O4 |
|---|---|
| Molecular Weight | 262.95 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.95416 |
| Heavy Atoms | 14 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 54522-09-7 |
|---|---|
| SMILES | C(C(=O)O)N1C(=C(C(=O)NC1=O)Br)N |
| InChIKey | CKNDYYPLVSCPSQ-UHFFFAOYSA-N |
Product Overview
2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid (CAS 54522-09-7), with molecular formula C6H6BrN3O4 and molecular weight 262.95 g/mol. IUPAC: 2-(6-amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid.
Chemical Property Profile of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
Property Insights of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
The XLogP value of -0.8 indicates that 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic 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-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid?
The CAS number of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid is 54522-09-7.
What is the molecular formula of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid?
The molecular formula of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid is C6H6BrN3O4.
What is the molecular weight of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid?
The molecular weight of 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid is 262.95 g/mol.
Where can I buy 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid?
You can request a quote for 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Amino-5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.