4-Phenoxyphenyl isocyanate
TL;DR: 4-Phenoxyphenyl isocyanate (CAS 59377-19-4) is a chemical compound with molecular formula C13H9NO2 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-phenoxybenzene
Also Known As: 4-Phenoxyphenyl isocyanate, 1-isocyanato-4-phenoxybenzene, 4-Phenoxyphenylisocyanate, 1-isocyanato-4-phenoxy-benzene, p-phenoxyphenylisocyanate
| Molecular Formula | C13H9NO2 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 3.4462 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.06332 |
| Heavy Atoms | 16 |
| Complexity | 499.2156 |
Chemical Identifiers
| CAS Number | 59377-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O |
Product Overview
4-Phenoxyphenyl isocyanate (CAS 59377-19-4), with molecular formula C13H9NO2 and molecular weight 211.06 g/mol. IUPAC: 1-isocyanato-4-phenoxybenzene.
Chemical Property Profile of 4-Phenoxyphenyl isocyanate
Property Insights of 4-Phenoxyphenyl isocyanate
The XLogP value of 3.4462 indicates that 4-Phenoxyphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 4-Phenoxyphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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
Frequently Asked Questions
What is the CAS number of 4-Phenoxyphenyl isocyanate?
The CAS number of 4-Phenoxyphenyl isocyanate is 59377-19-4.
What is the molecular formula of 4-Phenoxyphenyl isocyanate?
The molecular formula of 4-Phenoxyphenyl isocyanate is C13H9NO2.
What is the molecular weight of 4-Phenoxyphenyl isocyanate?
The molecular weight of 4-Phenoxyphenyl isocyanate is 211.06 g/mol.
Where can I buy 4-Phenoxyphenyl isocyanate?
You can request a quote for 4-Phenoxyphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenoxyphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenoxyphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.