1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione
TL;DR: 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 76889-85-5) is a chemical compound with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-bromoethyl)-3,6-dimethylpyrimidine-2,4-dione
Also Known As: 1-(2-bromoethyl)-3,6-dimethylpyrimidine-2,4-dione, 1-(2-bromoethyl)-3,6-dimethyl-pyrimidine-2,4-dione, 1-(2-bromoethyl)-3,6-dimethylpyrimidine-2,4(1H,3H)-dione, 1-(2-BROMOETHYL)-3,6-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONE, 1-(2-bromoethyl)-3,6-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C8H11BrN2O2 |
|---|---|
| Molecular Weight | 246.00 g/mol |
| LogP | 0.25032 |
| Topological Polar Surface Area | 44.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.0004 |
| Heavy Atoms | 13 |
| Complexity | 419.1327 |
Chemical Identifiers
| CAS Number | 76889-85-5 |
|---|---|
| SMILES | CC1=CC(=O)N(C(=O)N1CCBr)C |
Product Overview
1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS 76889-85-5), with molecular formula C8H11BrN2O2 and molecular weight 246.00 g/mol. IUPAC: 1-(2-bromoethyl)-3,6-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione
Property Insights of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione
The XLogP value of 0.25032 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione. With a topological polar surface area (TPSA) of 44.0 Ų, 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione has 0 hydrogen bond donor(s) and 2 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 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione?
The CAS number of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione is 76889-85-5.
What is the molecular formula of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular formula of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione is C8H11BrN2O2.
What is the molecular weight of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione?
The molecular weight of 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione is 246.00 g/mol.
Where can I buy 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione?
You can request a quote for 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Bromoethyl)-3,6-dimethyl-2,4(1H,3H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.