4-Pentylphenyl isocyanate
TL;DR: 4-Pentylphenyl isocyanate (CAS 1215031-99-4) is a chemical compound with molecular formula C12H15NO and molecular weight 189.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-pentylbenzene
Also Known As: 4-Pentylphenyl isocyanate, 1-isocyanato-4-pentylbenzene, Benzene,1-isocyanato-4-pentyl-, 1-isocyanato-4-pentyl-benzene, 4-Pentylphenyl isocyanate, 97%
| Molecular Formula | C12H15NO |
|---|---|
| Molecular Weight | 189.12 g/mol |
| LogP | 3.3866 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 189.11537 |
| Heavy Atoms | 14 |
| Complexity | 309.59854 |
Chemical Identifiers
| CAS Number | 1215031-99-4 |
|---|---|
| SMILES | CCCCCC1=CC=C(C=C1)N=C=O |
Product Overview
4-Pentylphenyl isocyanate (CAS 1215031-99-4), with molecular formula C12H15NO and molecular weight 189.12 g/mol. IUPAC: 1-isocyanato-4-pentylbenzene.
Chemical Property Profile of 4-Pentylphenyl isocyanate
Property Insights of 4-Pentylphenyl isocyanate
The XLogP value of 3.3866 indicates that 4-Pentylphenyl isocyanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.43 Ų, 4-Pentylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentylphenyl isocyanate 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 4-Pentylphenyl isocyanate?
The CAS number of 4-Pentylphenyl isocyanate is 1215031-99-4.
What is the molecular formula of 4-Pentylphenyl isocyanate?
The molecular formula of 4-Pentylphenyl isocyanate is C12H15NO.
What is the molecular weight of 4-Pentylphenyl isocyanate?
The molecular weight of 4-Pentylphenyl isocyanate is 189.12 g/mol.
Where can I buy 4-Pentylphenyl isocyanate?
You can request a quote for 4-Pentylphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentylphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.