2-Butyl-5-nitrobenzofuran
TL;DR: 2-Butyl-5-nitrobenzofuran (CAS 133238-87-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-butyl-5-nitro-1-benzofuran
Also Known As: 2-BUTYL-5-NITROBENZOFURAN, 2-butyl-5-nitro-1-benzofuran, Benzofuran, 2-butyl-5-nitro-, 2-n-Butyl-5-nitrobenzofuran, 2-butyl-5-nitro-benzofuran
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 59.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
| SMILES | CCCCC1=CC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | XGAJABPTUOLUAE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyl-5-nitrobenzofuran
Property Insights of 2-Butyl-5-nitrobenzofuran
The XLogP value of 3.9 indicates that 2-Butyl-5-nitrobenzofuran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.0 Ų, 2-Butyl-5-nitrobenzofuran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-5-nitrobenzofuran has 0 hydrogen bond donor(s) and 3 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-Butyl-5-nitrobenzofuran?
The CAS number of 2-Butyl-5-nitrobenzofuran is 133238-87-6.
What is the molecular formula of 2-Butyl-5-nitrobenzofuran?
The molecular formula of 2-Butyl-5-nitrobenzofuran is C12H13NO3.
What is the molecular weight of 2-Butyl-5-nitrobenzofuran?
The molecular weight of 2-Butyl-5-nitrobenzofuran is 219.08954 g/mol.
Where can I buy 2-Butyl-5-nitrobenzofuran?
You can request a quote for 2-Butyl-5-nitrobenzofuran directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyl-5-nitrobenzofuran?
Yes, CoreyChem provides custom synthesis services for 2-Butyl-5-nitrobenzofuran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.