5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione
TL;DR: 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione (CAS 3868-38-0) is a chemical compound with molecular formula C6H5BrN2O3 and molecular weight 231.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-bromoacetyl)-1H-pyrimidine-2,4-dione
Also Known As: 5-BROMOACETYLURACIL, 5- URACIL, 5-(BROMOACETYL)URACIL, 5-(bromoacetyl)pyrimidine-2,4(1h,3h)-dione, 5-bromoacetyl-1H-pyrimidine-2,4-dione
| Molecular Formula | C6H5BrN2O3 |
|---|---|
| Molecular Weight | 231.95 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.94835 |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 3868-38-0 |
|---|---|
| SMILES | C1=C(C(=O)NC(=O)N1)C(=O)CBr |
| InChIKey | DGMCKJPPFSDVCN-UHFFFAOYSA-N |
Product Overview
5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione (CAS 3868-38-0), with molecular formula C6H5BrN2O3 and molecular weight 231.95 g/mol. IUPAC: 5-(2-bromoacetyl)-1H-pyrimidine-2,4-dione.
Chemical Property Profile of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione
Property Insights of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione
The XLogP value of -0.3 indicates that 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione. Following Lipinski's Rule of Five, 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione 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-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione?
The CAS number of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione is 3868-38-0.
What is the molecular formula of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione?
The molecular formula of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione is C6H5BrN2O3.
What is the molecular weight of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione?
The molecular weight of 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione is 231.95 g/mol.
Where can I buy 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione?
You can request a quote for 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(Bromoacetyl)pyrimidine-2,4(1h,3h)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.