4-Hexyloxyphenyl isocyanate
TL;DR: 4-Hexyloxyphenyl isocyanate (CAS 32223-70-4) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexoxy-4-isocyanatobenzene
Also Known As: 4-Hexyloxyphenyl isocyanate, 1-hexoxy-4-isocyanatobenzene, 4-(Hexyloxy)phenyl isocyanate, 4-Hexyloxyphenylisocyanate, 4- PHENYLISOCYANATE
| Molecular Formula | C13H17NO2 |
|---|---|
| Molecular Weight | 219.13 g/mol |
| LogP | 3.613 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 219.12593 |
| Heavy Atoms | 16 |
| Complexity | 339.45517 |
Chemical Identifiers
| CAS Number | 32223-70-4 |
|---|---|
| SMILES | CCCCCCOC1=CC=C(C=C1)N=C=O |
Product Overview
4-Hexyloxyphenyl isocyanate (CAS 32223-70-4), with molecular formula C13H17NO2 and molecular weight 219.13 g/mol. IUPAC: 1-hexoxy-4-isocyanatobenzene.
Chemical Property Profile of 4-Hexyloxyphenyl isocyanate
Property Insights of 4-Hexyloxyphenyl isocyanate
The XLogP value of 3.613 indicates that 4-Hexyloxyphenyl 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-Hexyloxyphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexyloxyphenyl 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-Hexyloxyphenyl isocyanate?
The CAS number of 4-Hexyloxyphenyl isocyanate is 32223-70-4.
What is the molecular formula of 4-Hexyloxyphenyl isocyanate?
The molecular formula of 4-Hexyloxyphenyl isocyanate is C13H17NO2.
What is the molecular weight of 4-Hexyloxyphenyl isocyanate?
The molecular weight of 4-Hexyloxyphenyl isocyanate is 219.13 g/mol.
Where can I buy 4-Hexyloxyphenyl isocyanate?
You can request a quote for 4-Hexyloxyphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexyloxyphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexyloxyphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.