1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene
TL;DR: 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene (CAS 1038810-73-9) is a chemical compound with molecular formula C12H15NO2 and molecular weight 205.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene
Also Known As: 1-ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene, 1-ethoxy-4-(1-isocyanoethyl)-2-methoxy-benzene
Technical Specifications
| Molecular Formula | C12H15NO2 |
| Molecular Weight | 205.11028 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 205.11028 Da |
| Heavy Atoms | 15 |
| Complexity | 233.0 |
| SMILES | CCOC1=C(C=C(C=C1)C(C)[N+]#[C-])OC |
| InChIKey | AUYCEWBVOXJTIV-UHFFFAOYSA-N |
Chemical Property Profile of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene
Property Insights of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene. With a topological polar surface area (TPSA) of 22.8 Ų, 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene 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 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene?
The CAS number of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene is 1038810-73-9.
What is the molecular formula of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene?
The molecular formula of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene is C12H15NO2.
What is the molecular weight of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene?
The molecular weight of 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene is 205.11028 g/mol.
Where can I buy 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene?
You can request a quote for 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene?
Yes, CoreyChem provides custom synthesis services for 1-Ethoxy-4-(1-isocyanoethyl)-2-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.