1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene
TL;DR: 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene (CAS 1042436-43-0) is a chemical compound with molecular formula C12H15N and molecular weight 173.12045 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1-isocyanoethyl)-2,4,5-trimethylbenzene
Also Known As: 1-(1-isocyanoethyl)-2,4,5-trimethylbenzene, 1-(1-isocyanoethyl)-2,4,5-trimethyl-benzene
Technical Specifications
| Molecular Formula | C12H15N |
| Molecular Weight | 173.12045 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.12045 Da |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
| SMILES | CC1=CC(=C(C=C1C)C(C)[N+]#[C-])C |
| InChIKey | YZYDWNZUYLJNQN-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene
Property Insights of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene
The XLogP value of 3.1 indicates that 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.4 Ų, 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene 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 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene?
The CAS number of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene is 1042436-43-0.
What is the molecular formula of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene?
The molecular formula of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene is C12H15N.
What is the molecular weight of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene?
The molecular weight of 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene is 173.12045 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene?
You can request a quote for 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene?
Yes, CoreyChem provides custom synthesis services for 1-(1-Isocyanoethyl)-2,4,5-trimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.