1-Isocyanato-3-phenoxybenzene
TL;DR: 1-Isocyanato-3-phenoxybenzene (CAS 87873-72-1) is a chemical compound with molecular formula C13H9NO2 and molecular weight 211.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-isocyanato-3-phenoxybenzene
Also Known As: 3-Phenoxyphenyl isocyanate, 1-isocyanato-3-phenoxybenzene, 3-phenoxyphenylisocyanate, 1-isocyanato-3-phenoxy-benzene, 1-(3-isocyanatophenoxy)benzene
| Molecular Formula | C13H9NO2 |
|---|---|
| Molecular Weight | 211.06 g/mol |
| LogP | 3.4462 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.06332 |
| Heavy Atoms | 16 |
| Complexity | 516.46564 |
Chemical Identifiers
| CAS Number | 87873-72-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=CC=CC(=C2)N=C=O |
Product Overview
1-Isocyanato-3-phenoxybenzene (CAS 87873-72-1), with molecular formula C13H9NO2 and molecular weight 211.06 g/mol. IUPAC: 1-isocyanato-3-phenoxybenzene.
Chemical Property Profile of 1-Isocyanato-3-phenoxybenzene
Property Insights of 1-Isocyanato-3-phenoxybenzene
The XLogP value of 3.4462 indicates that 1-Isocyanato-3-phenoxybenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.66 Ų, 1-Isocyanato-3-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isocyanato-3-phenoxybenzene has 0 hydrogen bond donor(s) and 3 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-Isocyanato-3-phenoxybenzene?
The CAS number of 1-Isocyanato-3-phenoxybenzene is 87873-72-1.
What is the molecular formula of 1-Isocyanato-3-phenoxybenzene?
The molecular formula of 1-Isocyanato-3-phenoxybenzene is C13H9NO2.
What is the molecular weight of 1-Isocyanato-3-phenoxybenzene?
The molecular weight of 1-Isocyanato-3-phenoxybenzene is 211.06 g/mol.
Where can I buy 1-Isocyanato-3-phenoxybenzene?
You can request a quote for 1-Isocyanato-3-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isocyanato-3-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Isocyanato-3-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.