1-(1-Isocyanoethyl)-4-phenoxybenzene
TL;DR: 1-(1-Isocyanoethyl)-4-phenoxybenzene (CAS 1043932-25-7) 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-(1-isocyanoethyl)-4-phenoxybenzene
Also Known As: 1-(1-isocyanoethyl)-4-phenoxybenzene, 1-(1-isocyanoethyl)-4-phenoxy-benzene
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 4.45919 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 510.86813 |
Chemical Identifiers
| CAS Number | 1043932-25-7 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OC2=CC=CC=C2)[N+]#[C-] |
Product Overview
1-(1-Isocyanoethyl)-4-phenoxybenzene (CAS 1043932-25-7), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 1-(1-isocyanoethyl)-4-phenoxybenzene.
Chemical Property Profile of 1-(1-Isocyanoethyl)-4-phenoxybenzene
Property Insights of 1-(1-Isocyanoethyl)-4-phenoxybenzene
The XLogP value of 4.45919 indicates that 1-(1-Isocyanoethyl)-4-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-(1-Isocyanoethyl)-4-phenoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-4-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-(1-Isocyanoethyl)-4-phenoxybenzene?
The CAS number of 1-(1-Isocyanoethyl)-4-phenoxybenzene is 1043932-25-7.
What is the molecular formula of 1-(1-Isocyanoethyl)-4-phenoxybenzene?
The molecular formula of 1-(1-Isocyanoethyl)-4-phenoxybenzene is C15H13NO.
What is the molecular weight of 1-(1-Isocyanoethyl)-4-phenoxybenzene?
The molecular weight of 1-(1-Isocyanoethyl)-4-phenoxybenzene is 223.10 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-4-phenoxybenzene?
You can request a quote for 1-(1-Isocyanoethyl)-4-phenoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Isocyanoethyl)-4-phenoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Isocyanoethyl)-4-phenoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.