4-Chloro-2-phenoxyphenyl isocyanate
TL;DR: 4-Chloro-2-phenoxyphenyl isocyanate (CAS 160693-21-0) is a chemical compound with molecular formula C13H8ClNO2 and molecular weight 245.02435 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-1-isocyanato-2-phenoxybenzene
Also Known As: 4-Chloro-2-phenoxyphenyl isocyanate, 4-chloro-1-isocyanato-2-phenoxybenzene, starbld0006537, 4-chloro-2-phenoxyphenylisocyanate, 4-chloro-2-phenoxy phenyl isocyanate
Technical Specifications
| Molecular Formula | C13H8ClNO2 |
| Molecular Weight | 245.02435 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.02435 Da |
| Heavy Atoms | 17 |
| Complexity | 285.0 |
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC(=C2)Cl)N=C=O |
| InChIKey | CZFHANYTOSYAEC-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-2-phenoxyphenyl isocyanate
Property Insights of 4-Chloro-2-phenoxyphenyl isocyanate
The XLogP value of 4.9 indicates that 4-Chloro-2-phenoxyphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, 4-Chloro-2-phenoxyphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-phenoxyphenyl isocyanate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Chloro-2-phenoxyphenyl isocyanate?
The CAS number of 4-Chloro-2-phenoxyphenyl isocyanate is 160693-21-0.
What is the molecular formula of 4-Chloro-2-phenoxyphenyl isocyanate?
The molecular formula of 4-Chloro-2-phenoxyphenyl isocyanate is C13H8ClNO2.
What is the molecular weight of 4-Chloro-2-phenoxyphenyl isocyanate?
The molecular weight of 4-Chloro-2-phenoxyphenyl isocyanate is 245.02435 g/mol.
Where can I buy 4-Chloro-2-phenoxyphenyl isocyanate?
You can request a quote for 4-Chloro-2-phenoxyphenyl isocyanate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-2-phenoxyphenyl isocyanate?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-2-phenoxyphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.