4-(1-Isocyanoethyl)-1,2-dimethoxybenzene
TL;DR: 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene (CAS 1040745-49-0) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(1-isocyanoethyl)-1,2-dimethoxybenzene
Also Known As: 4-(1-isocyanoethyl)-1,2-dimethoxybenzene, 4-(1-isocyanoethyl)-1,2-dimethoxy-benzene
Technical Specifications
| Molecular Formula | C11H13NO2 |
| Molecular Weight | 191.09464 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 22.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 191.09464 Da |
| Heavy Atoms | 14 |
| Complexity | 221.0 |
| SMILES | CC(C1=CC(=C(C=C1)OC)OC)[N+]#[C-] |
| InChIKey | LNIXGLILCWFROM-UHFFFAOYSA-N |
Chemical Property Profile of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene
Property Insights of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene. With a topological polar surface area (TPSA) of 22.8 Ų, 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene 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 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene?
The CAS number of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene is 1040745-49-0.
What is the molecular formula of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene?
The molecular formula of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene is C11H13NO2.
What is the molecular weight of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene?
The molecular weight of 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene is 191.09464 g/mol.
Where can I buy 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene?
You can request a quote for 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene?
Yes, CoreyChem provides custom synthesis services for 4-(1-Isocyanoethyl)-1,2-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.