(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
TL;DR: (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid (CAS 31385-63-4) is a chemical compound with molecular formula C6H5BrN2O4 and molecular weight 247.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
Also Known As: ChemDiv3_002993, (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid, (5-bromouracil-1-yl)acetic acid, 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid, 2-(5-Bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
| Molecular Formula | C6H5BrN2O4 |
|---|---|
| Molecular Weight | 247.94 g/mol |
| LogP | -0.6163 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.94327 |
| Heavy Atoms | 13 |
| Complexity | 446.68286 |
Chemical Identifiers
| CAS Number | 31385-63-4 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1CC(=O)O)Br |
Product Overview
(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid (CAS 31385-63-4), with molecular formula C6H5BrN2O4 and molecular weight 247.94 g/mol. IUPAC: 2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid.
Chemical Property Profile of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
Property Insights of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
The XLogP value of -0.6163 indicates that (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid. Following Lipinski's Rule of Five, (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid has 2 hydrogen bond donor(s) and 3 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-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid?
The CAS number of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid is 31385-63-4.
What is the molecular formula of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid?
The molecular formula of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid is C6H5BrN2O4.
What is the molecular weight of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid?
The molecular weight of (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid is 247.94 g/mol.
Where can I buy (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid?
You can request a quote for (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-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 (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.