2-Ethyl-6-isopropylphenyl isocyanate
TL;DR: 2-Ethyl-6-isopropylphenyl isocyanate (CAS 102561-41-1) 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-ethyl-2-isocyanato-3-propan-2-ylbenzene
Also Known As: 2-Ethyl-6-isopropylphenyl isocyanate, 1-ethyl-2-isocyanato-3-propan-2-ylbenzene, 1-ethyl-2-isocyanato-3-isopropylbenzene, 2-ethyl-6-isopropylphenylisocyanate, 2-Ethyl-6-isopropyl-phenylisocyanate
Technical Specifications
| Molecular Formula | C12H15NO |
| Molecular Weight | 189.11537 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 189.11537 Da |
| Heavy Atoms | 14 |
| Complexity | 218.0 |
| SMILES | CCC1=C(C(=CC=C1)C(C)C)N=C=O |
| InChIKey | TVTUCESWFCLZQK-UHFFFAOYSA-N |
Chemical Property Profile of 2-Ethyl-6-isopropylphenyl isocyanate
Property Insights of 2-Ethyl-6-isopropylphenyl isocyanate
The XLogP value of 4.6 indicates that 2-Ethyl-6-isopropylphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Ethyl-6-isopropylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-6-isopropylphenyl isocyanate 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 2-Ethyl-6-isopropylphenyl isocyanate?
The CAS number of 2-Ethyl-6-isopropylphenyl isocyanate is 102561-41-1.
What is the molecular formula of 2-Ethyl-6-isopropylphenyl isocyanate?
The molecular formula of 2-Ethyl-6-isopropylphenyl isocyanate is C12H15NO.
What is the molecular weight of 2-Ethyl-6-isopropylphenyl isocyanate?
The molecular weight of 2-Ethyl-6-isopropylphenyl isocyanate is 189.11537 g/mol.
Where can I buy 2-Ethyl-6-isopropylphenyl isocyanate?
You can request a quote for 2-Ethyl-6-isopropylphenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Ethyl-6-isopropylphenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 2-Ethyl-6-isopropylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.