4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene
TL;DR: 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene (CAS 1050507-68-0) is a chemical compound with molecular formula C12H15NO and molecular weight 189.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-ethoxy-1-(1-isocyanoethyl)-2-methylbenzene
Also Known As: 4-ethoxy-1-(1-isocyanoethyl)-2-methylbenzene, 4-ethoxy-1-(1-isocyanoethyl)-2-methyl-benzene
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CCOC1=CC(=C(C=C1)C(C)[N+]#[C-])C |
| InChIKey | QEGNHASMOVTTCG-UHFFFAOYSA-N |
Chemical Property Profile of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene
Property Insights of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene. With a topological polar surface area (TPSA) of 13.6 Ų, 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene 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 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene?
The CAS number of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene is 1050507-68-0.
What is the molecular formula of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene?
The molecular formula of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene is C12H15NO.
What is the molecular weight of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene?
The molecular weight of 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene is 189.11537 g/mol.
Where can I buy 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene?
You can request a quote for 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene?
Yes, CoreyChem provides custom synthesis services for 4-Ethoxy-1-(1-isocyanoethyl)-2-methylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.