4-(Benzyloxy)phenyl isocyanate
TL;DR: 4-(Benzyloxy)phenyl isocyanate (CAS 50893-36-2) is a chemical compound with molecular formula C14H11NO2 and molecular weight 225.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-phenylmethoxybenzene
Also Known As: 4-Benzyloxyphenyl isocyanate, 1-(Benzyloxy)-4-isocyanatobenzene, 4-(Benzyloxy)phenyl isocyanate, 1-isocyanato-4-phenylmethoxybenzene, 4-Benyloxyphenyl isocyanate
| Molecular Formula | C14H11NO2 |
|---|---|
| Molecular Weight | 225.08 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.07898 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 50893-36-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)N=C=O |
| InChIKey | HFIHSWMJFCMLJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Benzyloxy)phenyl isocyanate (CAS 50893-36-2), with molecular formula C14H11NO2 and molecular weight 225.08 g/mol. IUPAC: 1-isocyanato-4-phenylmethoxybenzene.
Chemical Property Profile of 4-(Benzyloxy)phenyl isocyanate
Property Insights of 4-(Benzyloxy)phenyl isocyanate
The XLogP value of 4.6 indicates that 4-(Benzyloxy)phenyl 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-(Benzyloxy)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzyloxy)phenyl 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-(Benzyloxy)phenyl isocyanate?
The CAS number of 4-(Benzyloxy)phenyl isocyanate is 50893-36-2.
What is the molecular formula of 4-(Benzyloxy)phenyl isocyanate?
The molecular formula of 4-(Benzyloxy)phenyl isocyanate is C14H11NO2.
What is the molecular weight of 4-(Benzyloxy)phenyl isocyanate?
The molecular weight of 4-(Benzyloxy)phenyl isocyanate is 225.08 g/mol.
Where can I buy 4-(Benzyloxy)phenyl isocyanate?
You can request a quote for 4-(Benzyloxy)phenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzyloxy)phenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzyloxy)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.