2-Nitrobutyl bromoacetate
TL;DR: 2-Nitrobutyl bromoacetate (CAS 32815-96-6) is a chemical compound with molecular formula C6H10BrNO4 and molecular weight 238.97932 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-nitrobutyl 2-bromoacetate
Also Known As: 2-Nitrobutyl bromoacetate, 2-nitrobutyl 2-bromoacetate, 1-Bromoacetoxy-2-nitrobutane, Acetic acid, bromo-, 2-nitrobutyl ester, Bromoacetic acid 2-nitrobutyl ester
Technical Specifications
| Molecular Formula | C6H10BrNO4 |
| Molecular Weight | 238.97932 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 238.97932 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | CCC(COC(=O)CBr)[N+](=O)[O-] |
| InChIKey | WSJZSGQAZLMVKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-Nitrobutyl bromoacetate
Property Insights of 2-Nitrobutyl bromoacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrobutyl bromoacetate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrobutyl bromoacetate. Following Lipinski's Rule of Five, 2-Nitrobutyl bromoacetate has 0 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 2-Nitrobutyl bromoacetate?
The CAS number of 2-Nitrobutyl bromoacetate is 32815-96-6.
What is the molecular formula of 2-Nitrobutyl bromoacetate?
The molecular formula of 2-Nitrobutyl bromoacetate is C6H10BrNO4.
What is the molecular weight of 2-Nitrobutyl bromoacetate?
The molecular weight of 2-Nitrobutyl bromoacetate is 238.97932 g/mol.
Where can I buy 2-Nitrobutyl bromoacetate?
You can request a quote for 2-Nitrobutyl bromoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Nitrobutyl bromoacetate?
Yes, CoreyChem provides custom synthesis services for 2-Nitrobutyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.