1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene
TL;DR: 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene (CAS 1042070-22-3) is a chemical compound with molecular formula C12H15N and molecular weight 173.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-isocyanoethyl)-4-propan-2-ylbenzene
Also Known As: 1-(1-isocyanoethyl)-4-(propan-2-yl)benzene, 1-(1-isocyanoethyl)-4-propan-2-ylbenzene, 1-(1-isocyanoethyl)-4-propan-2-yl-benzene
Technical Specifications
| Molecular Formula | C12H15N |
| Molecular Weight | 173.12045 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.12045 Da |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
| SMILES | CC(C)C1=CC=C(C=C1)C(C)[N+]#[C-] |
| InChIKey | FLWCLKMNUNLMPV-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene
Property Insights of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene
The XLogP value of 3.1 indicates that 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene?
The CAS number of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene is 1042070-22-3.
What is the molecular formula of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene?
The molecular formula of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene is C12H15N.
What is the molecular weight of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene?
The molecular weight of 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene is 173.12045 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene?
You can request a quote for 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-4-(propan-2-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.