RefChem:1090782
TL;DR: RefChem:1090782 (CAS 102571-44-8) is a chemical compound with molecular formula C15H27BrN4O3 and molecular weight 390.12665 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[(1-butyl-3,6-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-2-oxoethyl]-trimethylazanium bromide
Also Known As: [2-[(1-butyl-3,6-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-2-oxoethyl]-trimethylazanium bromide|Ammonium, (((1-butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)carbamoyl)methyl)trimethyl-, bromide|[2-[(1-butyl-3,6-dimethyl-2,4-dioxopyrimidin-5-yl)amino]-2-oxoethyl]-trimethylazanium|AMMONIUM, (((1-BUTYL-3,6-DIMETHYL-2,4-DIOXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINYL)CAR|2-[(1-butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino]-n,n,n-trimethyl-2-oxoethanaminium bromide|N-(1-Butyl-3,6-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-(trimethylazaniumyl)ethanimidate--hydrogen bromide (1/1)
Technical Specifications
| Molecular Formula | C15H27BrN4O3 |
| Molecular Weight | 390.12665 g/mol |
| XLogP | -2.7 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.12665 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | CCCCN1C(=C(C(=O)N(C1=O)C)NC(=O)C[N+](C)(C)C)C.[Br-] |
| InChIKey | YZTHWXCUFZFJTJ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:1090782
Property Insights of RefChem:1090782
The XLogP value of -2.7 indicates that RefChem:1090782 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1090782. Following Lipinski's Rule of Five, RefChem:1090782 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:1090782?
The CAS number of RefChem:1090782 is 102571-44-8.
What is the molecular formula of RefChem:1090782?
The molecular formula of RefChem:1090782 is C15H27BrN4O3.
What is the molecular weight of RefChem:1090782?
The molecular weight of RefChem:1090782 is 390.12665 g/mol.
Where can I buy RefChem:1090782?
You can request a quote for RefChem:1090782 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1090782?
Yes, CoreyChem provides custom synthesis services for RefChem:1090782 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.