1-Methyl-1-phenyl-ethylisocyanate
TL;DR: 1-Methyl-1-phenyl-ethylisocyanate (CAS 4747-74-4) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isocyanatopropan-2-ylbenzene
Also Known As: (2-isocyanatopropan-2-yl)benzene, cumyl isocyanate, 2-isocyanatopropan-2-ylbenzene, dimethylbenzyl isocyanate, dimethylbenzyl-isocyanate
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.2575 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 296.87442 |
Chemical Identifiers
| CAS Number | 4747-74-4 |
|---|---|
| SMILES | CC(C)(C1=CC=CC=C1)N=C=O |
Product Overview
1-Methyl-1-phenyl-ethylisocyanate (CAS 4747-74-4), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 2-isocyanatopropan-2-ylbenzene.
Chemical Property Profile of 1-Methyl-1-phenyl-ethylisocyanate
Property Insights of 1-Methyl-1-phenyl-ethylisocyanate
The XLogP value of 2.2575 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-1-phenyl-ethylisocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Methyl-1-phenyl-ethylisocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-1-phenyl-ethylisocyanate 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
Frequently Asked Questions
What is the CAS number of 1-Methyl-1-phenyl-ethylisocyanate?
The CAS number of 1-Methyl-1-phenyl-ethylisocyanate is 4747-74-4.
What is the molecular formula of 1-Methyl-1-phenyl-ethylisocyanate?
The molecular formula of 1-Methyl-1-phenyl-ethylisocyanate is C10H11NO.
What is the molecular weight of 1-Methyl-1-phenyl-ethylisocyanate?
The molecular weight of 1-Methyl-1-phenyl-ethylisocyanate is 161.08 g/mol.
Where can I buy 1-Methyl-1-phenyl-ethylisocyanate?
You can request a quote for 1-Methyl-1-phenyl-ethylisocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-1-phenyl-ethylisocyanate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-1-phenyl-ethylisocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.