1-Ethoxy-4-isocyanobenzene
TL;DR: 1-Ethoxy-4-isocyanobenzene (CAS 134420-06-7) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-4-isocyanobenzene
Also Known As: 1-ethoxy-4-isocyanobenzene, 4-Ethoxyphenylisocyanide, 4-Ethoxyphenyl isocyanide, p-Athoxyphenylisonitril, 4-ethoxybenzenisocyanide
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 2.63609 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 257.88638 |
Chemical Identifiers
| CAS Number | 134420-06-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)[N+]#[C-] |
Product Overview
1-Ethoxy-4-isocyanobenzene (CAS 134420-06-7), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 1-ethoxy-4-isocyanobenzene.
Chemical Property Profile of 1-Ethoxy-4-isocyanobenzene
Property Insights of 1-Ethoxy-4-isocyanobenzene
The XLogP value of 2.63609 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxy-4-isocyanobenzene. With a topological polar surface area (TPSA) of 13.59 Ų, 1-Ethoxy-4-isocyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxy-4-isocyanobenzene 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-Ethoxy-4-isocyanobenzene?
The CAS number of 1-Ethoxy-4-isocyanobenzene is 134420-06-7.
What is the molecular formula of 1-Ethoxy-4-isocyanobenzene?
The molecular formula of 1-Ethoxy-4-isocyanobenzene is C9H9NO.
What is the molecular weight of 1-Ethoxy-4-isocyanobenzene?
The molecular weight of 1-Ethoxy-4-isocyanobenzene is 147.07 g/mol.
Where can I buy 1-Ethoxy-4-isocyanobenzene?
You can request a quote for 1-Ethoxy-4-isocyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxy-4-isocyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxy-4-isocyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.