4-(Octyloxy)phenyl isocyanate
TL;DR: 4-(Octyloxy)phenyl isocyanate (CAS 32223-72-6) is a chemical compound with molecular formula C15H21NO2 and molecular weight 247.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-octoxybenzene
Also Known As: 4-(Octyloxy)phenyl isocyanate, 1-isocyanato-4-octoxybenzene, Dehydroepiandrosterone, 4-octyloxyphenyl isocyanate, 1-isocyanato-4-(octyloxy)benzene
| Molecular Formula | C15H21NO2 |
|---|---|
| Molecular Weight | 247.16 g/mol |
| LogP | 4.3932 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 247.15723 |
| Heavy Atoms | 18 |
| Complexity | 366.58493 |
Chemical Identifiers
| CAS Number | 32223-72-6 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)N=C=O |
Product Overview
4-(Octyloxy)phenyl isocyanate (CAS 32223-72-6), with molecular formula C15H21NO2 and molecular weight 247.16 g/mol. IUPAC: 1-isocyanato-4-octoxybenzene.
Chemical Property Profile of 4-(Octyloxy)phenyl isocyanate
Property Insights of 4-(Octyloxy)phenyl isocyanate
The XLogP value of 4.3932 indicates that 4-(Octyloxy)phenyl 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-(Octyloxy)phenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Octyloxy)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-(Octyloxy)phenyl isocyanate?
The CAS number of 4-(Octyloxy)phenyl isocyanate is 32223-72-6.
What is the molecular formula of 4-(Octyloxy)phenyl isocyanate?
The molecular formula of 4-(Octyloxy)phenyl isocyanate is C15H21NO2.
What is the molecular weight of 4-(Octyloxy)phenyl isocyanate?
The molecular weight of 4-(Octyloxy)phenyl isocyanate is 247.16 g/mol.
Where can I buy 4-(Octyloxy)phenyl isocyanate?
You can request a quote for 4-(Octyloxy)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-(Octyloxy)phenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-(Octyloxy)phenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.