Methyl 2-isocyanato-2-phenylacetate
TL;DR: Methyl 2-isocyanato-2-phenylacetate (CAS 143676-63-5) is a chemical compound with molecular formula C10H9NO3 and molecular weight 191.05824 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-isocyanato-2-phenylacetate
Also Known As: Methyl isocyanato(phenyl)acetate, methyl 2-isocyanato-2-phenylacetate, methyl2-isocyanato-2-phenylacetate, methyl alpha-isocyanatophenylacetate, Methyl 2-isocyanato-2-phenyl-acetate
Technical Specifications
| Molecular Formula | C10H9NO3 |
| Molecular Weight | 191.05824 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.05824 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | COC(=O)C(C1=CC=CC=C1)N=C=O |
| InChIKey | SHKLHQANVPYACZ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 2-isocyanato-2-phenylacetate
Property Insights of Methyl 2-isocyanato-2-phenylacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-isocyanato-2-phenylacetate. With a topological polar surface area (TPSA) of 55.7 Ų, Methyl 2-isocyanato-2-phenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-isocyanato-2-phenylacetate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 2-isocyanato-2-phenylacetate?
The CAS number of Methyl 2-isocyanato-2-phenylacetate is 143676-63-5.
What is the molecular formula of Methyl 2-isocyanato-2-phenylacetate?
The molecular formula of Methyl 2-isocyanato-2-phenylacetate is C10H9NO3.
What is the molecular weight of Methyl 2-isocyanato-2-phenylacetate?
The molecular weight of Methyl 2-isocyanato-2-phenylacetate is 191.05824 g/mol.
Where can I buy Methyl 2-isocyanato-2-phenylacetate?
You can request a quote for Methyl 2-isocyanato-2-phenylacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 2-isocyanato-2-phenylacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 2-isocyanato-2-phenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.