2-(4-Biphenyl)ethyl isocyanate
TL;DR: 2-(4-Biphenyl)ethyl isocyanate (CAS 480439-06-3) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isocyanatoethyl)-4-phenylbenzene
Also Known As: 2-(4-Biphenyl)ethyl isocyanate, 1-(2-isocyanatoethyl)-4-phenylbenzene, 2- ETHYLISOCYANATE97, [2-(4-Biphenylyl)ethyl] isocyanate, 4-(2-ISOCYANATOETHYL)-1,1'-BIPHENYL
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 3.2319 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 510.3779 |
Chemical Identifiers
| CAS Number | 480439-06-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)CCN=C=O |
Product Overview
2-(4-Biphenyl)ethyl isocyanate (CAS 480439-06-3), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 1-(2-isocyanatoethyl)-4-phenylbenzene.
Chemical Property Profile of 2-(4-Biphenyl)ethyl isocyanate
Property Insights of 2-(4-Biphenyl)ethyl isocyanate
The XLogP value of 3.2319 indicates that 2-(4-Biphenyl)ethyl 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, 2-(4-Biphenyl)ethyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Biphenyl)ethyl 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 2-(4-Biphenyl)ethyl isocyanate?
The CAS number of 2-(4-Biphenyl)ethyl isocyanate is 480439-06-3.
What is the molecular formula of 2-(4-Biphenyl)ethyl isocyanate?
The molecular formula of 2-(4-Biphenyl)ethyl isocyanate is C15H13NO.
What is the molecular weight of 2-(4-Biphenyl)ethyl isocyanate?
The molecular weight of 2-(4-Biphenyl)ethyl isocyanate is 223.10 g/mol.
Where can I buy 2-(4-Biphenyl)ethyl isocyanate?
You can request a quote for 2-(4-Biphenyl)ethyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Biphenyl)ethyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Biphenyl)ethyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.