1-Isocyano-2-phenylbenzene
TL;DR: 1-Isocyano-2-phenylbenzene (CAS 3128-77-6) is a chemical compound with molecular formula C13H9N and molecular weight 179.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyano-2-phenylbenzene
Also Known As: 1-isocyano-2-phenylbenzene, 2-isocyano-1,1'-biphenyl, 2-isocyanobiphenyl, 2-isocyano-biphenyl, 2-Biphenylyl isocyanide
| Molecular Formula | C13H9N |
|---|---|
| Molecular Weight | 179.07 g/mol |
| LogP | 3.90439 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.0735 |
| Heavy Atoms | 14 |
| Complexity | 466.09427 |
Chemical Identifiers
| CAS Number | 3128-77-6 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC=C1C2=CC=CC=C2 |
Product Overview
1-Isocyano-2-phenylbenzene (CAS 3128-77-6), with molecular formula C13H9N and molecular weight 179.07 g/mol. IUPAC: 1-isocyano-2-phenylbenzene.
Chemical Property Profile of 1-Isocyano-2-phenylbenzene
Property Insights of 1-Isocyano-2-phenylbenzene
The XLogP value of 3.90439 indicates that 1-Isocyano-2-phenylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Isocyano-2-phenylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyano-2-phenylbenzene has 0 hydrogen bond donor(s) and 0 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-Isocyano-2-phenylbenzene?
The CAS number of 1-Isocyano-2-phenylbenzene is 3128-77-6.
What is the molecular formula of 1-Isocyano-2-phenylbenzene?
The molecular formula of 1-Isocyano-2-phenylbenzene is C13H9N.
What is the molecular weight of 1-Isocyano-2-phenylbenzene?
The molecular weight of 1-Isocyano-2-phenylbenzene is 179.07 g/mol.
Where can I buy 1-Isocyano-2-phenylbenzene?
You can request a quote for 1-Isocyano-2-phenylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyano-2-phenylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyano-2-phenylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.