1-Isocyanato-4-octylbenzene
TL;DR: 1-Isocyanato-4-octylbenzene (CAS 69342-46-7) is a chemical compound with molecular formula C15H21NO and molecular weight 231.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-octylbenzene
Also Known As: 4-Octylphenyl isocyanate, 1-isocyanato-4-octylbenzene, p-octylphenylisocyanate, 1-(4-isocyanatophenyl)octane, 4-OCTYLPHENYLISOCYANATE97
| Molecular Formula | C15H21NO |
|---|---|
| Molecular Weight | 231.16 g/mol |
| LogP | 4.5569 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 231.16231 |
| Heavy Atoms | 17 |
| Complexity | 349.68948 |
Chemical Identifiers
| CAS Number | 69342-46-7 |
|---|---|
| SMILES | CCCCCCCCC1=CC=C(C=C1)N=C=O |
Product Overview
1-Isocyanato-4-octylbenzene (CAS 69342-46-7), with molecular formula C15H21NO and molecular weight 231.16 g/mol. IUPAC: 1-isocyanato-4-octylbenzene.
Chemical Property Profile of 1-Isocyanato-4-octylbenzene
Property Insights of 1-Isocyanato-4-octylbenzene
The XLogP value of 4.5569 indicates that 1-Isocyanato-4-octylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 1-Isocyanato-4-octylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-4-octylbenzene has 0 hydrogen bond donor(s) and 2 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 1-Isocyanato-4-octylbenzene?
The CAS number of 1-Isocyanato-4-octylbenzene is 69342-46-7.
What is the molecular formula of 1-Isocyanato-4-octylbenzene?
The molecular formula of 1-Isocyanato-4-octylbenzene is C15H21NO.
What is the molecular weight of 1-Isocyanato-4-octylbenzene?
The molecular weight of 1-Isocyanato-4-octylbenzene is 231.16 g/mol.
Where can I buy 1-Isocyanato-4-octylbenzene?
You can request a quote for 1-Isocyanato-4-octylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-4-octylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-4-octylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.