Benzene, 1-ethoxy-4-isocyanato-
TL;DR: Benzene, 1-ethoxy-4-isocyanato- (CAS 32459-62-4) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-4-isocyanatobenzene
Also Known As: 4-Ethoxyphenyl isocyanate, 1-ethoxy-4-isocyanatobenzene, 4-Isocyanatophenetole, Benzene, 1-ethoxy-4-isocyanato-, 4-Ethoxyphenylisocyanate
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 32459-62-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N=C=O |
| InChIKey | FMYVTFRADSNGDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1-ethoxy-4-isocyanato- (CAS 32459-62-4), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-ethoxy-4-isocyanatobenzene.
Chemical Property Profile of Benzene, 1-ethoxy-4-isocyanato-
Property Insights of Benzene, 1-ethoxy-4-isocyanato-
The XLogP value of 3.0 indicates that Benzene, 1-ethoxy-4-isocyanato- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.7 Ų, Benzene, 1-ethoxy-4-isocyanato- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-ethoxy-4-isocyanato- 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 Benzene, 1-ethoxy-4-isocyanato-?
The CAS number of Benzene, 1-ethoxy-4-isocyanato- is 32459-62-4.
What is the molecular formula of Benzene, 1-ethoxy-4-isocyanato-?
The molecular formula of Benzene, 1-ethoxy-4-isocyanato- is C9H9NO2.
What is the molecular weight of Benzene, 1-ethoxy-4-isocyanato-?
The molecular weight of Benzene, 1-ethoxy-4-isocyanato- is 163.06 g/mol.
Where can I buy Benzene, 1-ethoxy-4-isocyanato-?
You can request a quote for Benzene, 1-ethoxy-4-isocyanato- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-ethoxy-4-isocyanato-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-ethoxy-4-isocyanato- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.