2-Ethoxybenzyl isocyanate
TL;DR: 2-Ethoxybenzyl isocyanate (CAS 93489-09-9) is a chemical compound with molecular formula C10H11NO2 and molecular weight 177.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-2-(isocyanatomethyl)benzene
Also Known As: 2-Ethoxybenzyl isocyanate, 1-Ethoxy-2-(isocyanatomethyl)benzene, 2-ETHOXYBENZYLISOCYANATE, 1-ethoxy-2-isocyanatomethyl-benzene, 1-isocyanatomethyl-2-ethoxy-benzene
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.9211 |
| Topological Polar Surface Area | 38.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 177.07898 |
| Heavy Atoms | 13 |
| Complexity | 316.45572 |
Chemical Identifiers
| CAS Number | 93489-09-9 |
|---|---|
| SMILES | CCOC1=CC=CC=C1CN=C=O |
Product Overview
2-Ethoxybenzyl isocyanate (CAS 93489-09-9), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-ethoxy-2-(isocyanatomethyl)benzene.
Chemical Property Profile of 2-Ethoxybenzyl isocyanate
Property Insights of 2-Ethoxybenzyl isocyanate
The XLogP value of 1.9211 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxybenzyl isocyanate. With a topological polar surface area (TPSA) of 38.66 Ų, 2-Ethoxybenzyl isocyanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxybenzyl isocyanate 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 2-Ethoxybenzyl isocyanate?
The CAS number of 2-Ethoxybenzyl isocyanate is 93489-09-9.
What is the molecular formula of 2-Ethoxybenzyl isocyanate?
The molecular formula of 2-Ethoxybenzyl isocyanate is C10H11NO2.
What is the molecular weight of 2-Ethoxybenzyl isocyanate?
The molecular weight of 2-Ethoxybenzyl isocyanate is 177.08 g/mol.
Where can I buy 2-Ethoxybenzyl isocyanate?
You can request a quote for 2-Ethoxybenzyl isocyanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxybenzyl isocyanate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxybenzyl isocyanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.