1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene
TL;DR: 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene (CAS 1039629-66-7) 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.
1-(1-isocyanoethyl)-2-methoxy-4,5-dimethylbenzene
Also Known As: 1-(1-isocyanoethyl)-2-methoxy-4,5-dimethylbenzene, 1-(1-isocyanoethyl)-2-methoxy-4,5-dimethyl-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 | 2 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 230.0 |
| SMILES | CC1=CC(=C(C=C1C)OC)C(C)[N+]#[C-] |
| InChIKey | VGUGJWIDQTVDLO-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene
Property Insights of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene. With a topological polar surface area (TPSA) of 13.6 Ų, 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene 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 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene?
The CAS number of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene is 1039629-66-7.
What is the molecular formula of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene?
The molecular formula of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene is C12H15NO.
What is the molecular weight of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene?
The molecular weight of 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene is 189.11537 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene?
You can request a quote for 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-2-methoxy-4,5-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.