Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-
TL;DR: Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- (CAS 15804-81-6) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2-nitrobut-1-enyl)-4-propan-2-ylbenzene
Also Known As: 1-(2-nitrobut-1-enyl)-4-propan-2-ylbenzene, 1-[(E)-2-nitrobut-1-enyl]-4-propan-2-ylbenzene, 1-(2-nitrobut-1-en-1-yl)-4-(propan-2-yl)benzene, BENZENE,1-(1-METHYLETHYL)-4-(2-NITRO-1-BUTEN-1-YL)-
Technical Specifications
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.12593 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 Da |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
| SMILES | CCC(=CC1=CC=C(C=C1)C(C)C)[N+](=O)[O-] |
| InChIKey | MGDJODBXMTWKNC-UHFFFAOYSA-N |
Chemical Property Profile of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-
Property Insights of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-
The XLogP value of 4.0 indicates that Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- 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
What is the CAS number of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-?
The CAS number of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- is 15804-81-6.
What is the molecular formula of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-?
The molecular formula of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- is C13H17NO2.
What is the molecular weight of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-?
The molecular weight of Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- is 219.12593 g/mol.
Where can I buy Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-?
You can request a quote for Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)-?
Yes, CoreyChem provides custom synthesis services for Benzene,1-(1-methylethyl)-4-(2-nitro-1-buten-1-YL)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.