1-(Benzyloxy)-4-(1-isocyanoethyl)benzene
TL;DR: 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene (CAS 1044160-83-9) is a chemical compound with molecular formula C16H15NO and molecular weight 237.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-isocyanoethyl)-4-phenylmethoxybenzene
Also Known As: 1-(benzyloxy)-4-(1-isocyanoethyl)benzene, 1-(1-isocyanoethyl)-4-phenylmethoxybenzene, 1-(1-isocyanoethyl)-4-phenylmethoxy-benzene
| Molecular Formula | C16H15NO |
|---|---|
| Molecular Weight | 237.12 g/mol |
| LogP | 4.24589 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.11537 |
| Heavy Atoms | 18 |
| Complexity | 525.27344 |
Chemical Identifiers
| CAS Number | 1044160-83-9 |
|---|---|
| SMILES | CC(C1=CC=C(C=C1)OCC2=CC=CC=C2)[N+]#[C-] |
Product Overview
1-(Benzyloxy)-4-(1-isocyanoethyl)benzene (CAS 1044160-83-9), with molecular formula C16H15NO and molecular weight 237.12 g/mol. IUPAC: 1-(1-isocyanoethyl)-4-phenylmethoxybenzene.
Chemical Property Profile of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene
Property Insights of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene
The XLogP value of 4.24589 indicates that 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene 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-(Benzyloxy)-4-(1-isocyanoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene 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-(Benzyloxy)-4-(1-isocyanoethyl)benzene?
The CAS number of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene is 1044160-83-9.
What is the molecular formula of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene?
The molecular formula of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene is C16H15NO.
What is the molecular weight of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene?
The molecular weight of 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene is 237.12 g/mol.
Where can I buy 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene?
You can request a quote for 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Benzyloxy)-4-(1-isocyanoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.