2-(1-Isocyanoethyl)-1,4-dimethylbenzene
TL;DR: 2-(1-Isocyanoethyl)-1,4-dimethylbenzene (CAS 1038810-51-3) is a chemical compound with molecular formula C11H13N and molecular weight 159.1048 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(1-isocyanoethyl)-1,4-dimethylbenzene
Also Known As: 2-(1-isocyanoethyl)-1,4-dimethylbenzene, 2-(1-isocyanoethyl)-1,4-dimethyl-benzene
Technical Specifications
| Molecular Formula | C11H13N |
| Molecular Weight | 159.1048 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 159.1048 Da |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
| SMILES | CC1=CC(=C(C=C1)C)C(C)[N+]#[C-] |
| InChIKey | CVFKGWSWBVZZDE-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene
Property Insights of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Isocyanoethyl)-1,4-dimethylbenzene. With a topological polar surface area (TPSA) of 4.4 Ų, 2-(1-Isocyanoethyl)-1,4-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isocyanoethyl)-1,4-dimethylbenzene 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 2-(1-Isocyanoethyl)-1,4-dimethylbenzene?
The CAS number of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene is 1038810-51-3.
What is the molecular formula of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene?
The molecular formula of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene is C11H13N.
What is the molecular weight of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene?
The molecular weight of 2-(1-Isocyanoethyl)-1,4-dimethylbenzene is 159.1048 g/mol.
Where can I buy 2-(1-Isocyanoethyl)-1,4-dimethylbenzene?
You can request a quote for 2-(1-Isocyanoethyl)-1,4-dimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isocyanoethyl)-1,4-dimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isocyanoethyl)-1,4-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.