2-(4-Methoxyphenyl)ethylisocyanide
TL;DR: 2-(4-Methoxyphenyl)ethylisocyanide (CAS 112057-91-7) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-isocyanoethyl)-4-methoxybenzene
Also Known As: 1-(2-isocyanoethyl)-4-methoxybenzene, 2-(4-Methoxyphenyl)ethylisocyanide, 4,6-Dichloro-2-methylphenol, p-methoxy-phenylethylisocyanide, 2-(4-Methoxyphenyl)ethyl isocyanide
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 13.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 112057-91-7 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC[N+]#[C-] |
| InChIKey | PDTUZGARTMXQDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methoxyphenyl)ethylisocyanide (CAS 112057-91-7), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 1-(2-isocyanoethyl)-4-methoxybenzene.
Chemical Property Profile of 2-(4-Methoxyphenyl)ethylisocyanide
Property Insights of 2-(4-Methoxyphenyl)ethylisocyanide
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)ethylisocyanide. With a topological polar surface area (TPSA) of 13.6 Ų, 2-(4-Methoxyphenyl)ethylisocyanide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)ethylisocyanide has 0 hydrogen bond donor(s) and 2 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-(4-Methoxyphenyl)ethylisocyanide?
The CAS number of 2-(4-Methoxyphenyl)ethylisocyanide is 112057-91-7.
What is the molecular formula of 2-(4-Methoxyphenyl)ethylisocyanide?
The molecular formula of 2-(4-Methoxyphenyl)ethylisocyanide is C10H11NO.
What is the molecular weight of 2-(4-Methoxyphenyl)ethylisocyanide?
The molecular weight of 2-(4-Methoxyphenyl)ethylisocyanide is 161.08 g/mol.
Where can I buy 2-(4-Methoxyphenyl)ethylisocyanide?
You can request a quote for 2-(4-Methoxyphenyl)ethylisocyanide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methoxyphenyl)ethylisocyanide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenyl)ethylisocyanide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.