BR 402
TL;DR: BR 402 (CAS 118630-61-8) is a chemical compound with molecular formula C14H21BrN2O5 and molecular weight 376.0634 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]-5-methylpyrrolidin-2-one;oxalic acid
Also Known As: BR 402, tetra-n-pentylcalix[4]resorcinolarene, 1-[4-[2-bromoethyl(methyl)amino]but-2-ynyl]-5-methylpyrrolidin-2-one;oxalic acid, N-(4-((2-bromoethyl) methylamino)-2-butynyl)-5-methyl-2-pyrrolidone, N-(4-((2-Bromoethyl)methylamino)-2-butynyl)-5-methyl-2-pyrrolidone
Technical Specifications
| Molecular Formula | C14H21BrN2O5 |
| Molecular Weight | 376.0634 g/mol |
| XLogP | 0.483 |
| Topological Polar Surface Area (TPSA) | 98.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0634 Da |
| Heavy Atoms | 22 |
| Complexity | 376.0 |
| SMILES | CC1CCC(=O)N1CC#CCN(C)CCBr.C(=O)(C(=O)O)O |
| InChIKey | KXGABRVGTIIANJ-UHFFFAOYSA-N |
Chemical Property Profile of BR 402
Property Insights of BR 402
The XLogP value of 0.483 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BR 402. The TPSA of 98.2 Ų falls within the moderate polarity range, balancing permeability and solubility for BR 402. Following Lipinski's Rule of Five, BR 402 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of BR 402?
The CAS number of BR 402 is 118630-61-8.
What is the molecular formula of BR 402?
The molecular formula of BR 402 is C14H21BrN2O5.
What is the molecular weight of BR 402?
The molecular weight of BR 402 is 376.0634 g/mol.
Where can I buy BR 402?
You can request a quote for BR 402 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for BR 402?
Yes, CoreyChem provides custom synthesis services for BR 402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.