1-Isocyano-2-phenoxybenzene
TL;DR: 1-Isocyano-2-phenoxybenzene (CAS 602261-98-3) 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-isocyano-2-phenoxybenzene
Also Known As: 1-isocyano-2-phenoxybenzene, 2-phenoxyisocyanobenzene, 1-isocyano-2-phenoxy-benzene, Benzene,1-isocyano-2-phenoxy-, BENZENE, 1-ISOCYANO-2-PHENOXY-
| Molecular Formula | C13H9NO |
|---|---|
| Molecular Weight | 195.07 g/mol |
| LogP | 4.02969 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.06842 |
| Heavy Atoms | 15 |
| Complexity | 485.3892 |
Chemical Identifiers
| CAS Number | 602261-98-3 |
|---|---|
| SMILES | [C-]#[N+]C1=CC=CC=C1OC2=CC=CC=C2 |
Product Overview
1-Isocyano-2-phenoxybenzene (CAS 602261-98-3), with molecular formula C13H9NO and molecular weight 195.07 g/mol. IUPAC: 1-isocyano-2-phenoxybenzene.
Chemical Property Profile of 1-Isocyano-2-phenoxybenzene
Property Insights of 1-Isocyano-2-phenoxybenzene
The XLogP value of 4.02969 indicates that 1-Isocyano-2-phenoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 13.59 Ų, 1-Isocyano-2-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyano-2-phenoxybenzene has 0 hydrogen bond donor(s) and 1 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-phenoxybenzene?
The CAS number of 1-Isocyano-2-phenoxybenzene is 602261-98-3.
What is the molecular formula of 1-Isocyano-2-phenoxybenzene?
The molecular formula of 1-Isocyano-2-phenoxybenzene is C13H9NO.
What is the molecular weight of 1-Isocyano-2-phenoxybenzene?
The molecular weight of 1-Isocyano-2-phenoxybenzene is 195.07 g/mol.
Where can I buy 1-Isocyano-2-phenoxybenzene?
You can request a quote for 1-Isocyano-2-phenoxybenzene 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-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyano-2-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.