4-Biphenylyl isocyanate
TL;DR: 4-Biphenylyl isocyanate (CAS 92-95-5) is a chemical compound with molecular formula C13H9NO and molecular weight 195.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-4-phenylbenzene
Also Known As: 4-Biphenylyl isocyanate, p-Xenylcarbimide, 4-Biphenyl isocyanate, 4-isocyanato-1,1'-biphenyl, 4-Isocyanatobiphenyl
| Molecular Formula | C13H9NO |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 3.3209 |
| Topological Polar Surface Area | 29.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.06842 |
| Heavy Atoms | 15 |
| Complexity | 481.70422 |
Chemical Identifiers
| CAS Number | 92-95-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)N=C=O |
Product Overview
4-Biphenylyl isocyanate (CAS 92-95-5), with molecular formula C13H9NO and molecular weight 195.07 g/mol. IUPAC: 1-isocyanato-4-phenylbenzene.
Chemical Property Profile of 4-Biphenylyl isocyanate
Property Insights of 4-Biphenylyl isocyanate
The XLogP value of 3.3209 indicates that 4-Biphenylyl 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-Biphenylyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Biphenylyl 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-Biphenylyl isocyanate?
The CAS number of 4-Biphenylyl isocyanate is 92-95-5.
What is the molecular formula of 4-Biphenylyl isocyanate?
The molecular formula of 4-Biphenylyl isocyanate is C13H9NO.
What is the molecular weight of 4-Biphenylyl isocyanate?
The molecular weight of 4-Biphenylyl isocyanate is 195.07 g/mol.
Where can I buy 4-Biphenylyl isocyanate?
You can request a quote for 4-Biphenylyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Biphenylyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 4-Biphenylyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.