4-Butylphenyl isocyanate
TL;DR: 4-Butylphenyl isocyanate (CAS 69342-47-8) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-4-isocyanatobenzene
Also Known As: 1-butyl-4-isocyanatobenzene, 4-Butylphenyl isocyanate, 4-N-Butylphenyl Isocyanate, 4-n-BUTYLPHENYLISOCYANATE, 4-butylbenzenisocyanate
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.9965 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 296.37125 |
Chemical Identifiers
| CAS Number | 69342-47-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)N=C=O |
Product Overview
4-Butylphenyl isocyanate (CAS 69342-47-8), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 1-butyl-4-isocyanatobenzene.
Chemical Property Profile of 4-Butylphenyl isocyanate
Property Insights of 4-Butylphenyl isocyanate
The XLogP value of 2.9965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Butylphenyl isocyanate. With a topological polar surface area (TPSA) of 29.43 Ų, 4-Butylphenyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Butylphenyl 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-Butylphenyl isocyanate?
The CAS number of 4-Butylphenyl isocyanate is 69342-47-8.
What is the molecular formula of 4-Butylphenyl isocyanate?
The molecular formula of 4-Butylphenyl isocyanate is C11H13NO.
What is the molecular weight of 4-Butylphenyl isocyanate?
The molecular weight of 4-Butylphenyl isocyanate is 175.10 g/mol.
Where can I buy 4-Butylphenyl isocyanate?
You can request a quote for 4-Butylphenyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butylphenyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Butylphenyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.