1-(2-Isocyanatoethyl)-4-methoxybenzene
TL;DR: 1-(2-Isocyanatoethyl)-4-methoxybenzene (CAS 52634-59-0) 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-(2-isocyanatoethyl)-4-methoxybenzene
Also Known As: 4-Methoxyphenethyl isocyanate, 1-(2-isocyanatoethyl)-4-methoxybenzene, 4-methoxyphenethylisocyanate, 2-(4-Methoxyphenyl)ethyl isocyanate, 4-methoxy-beta-phenylethyl isocyanate
| Molecular Formula | C10H11NO2 |
|---|---|
| Molecular Weight | 177.08 g/mol |
| LogP | 1.5735 |
| 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 | 299.20572 |
Chemical Identifiers
| CAS Number | 52634-59-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CCN=C=O |
Product Overview
1-(2-Isocyanatoethyl)-4-methoxybenzene (CAS 52634-59-0), with molecular formula C10H11NO2 and molecular weight 177.08 g/mol. IUPAC: 1-(2-isocyanatoethyl)-4-methoxybenzene.
Chemical Property Profile of 1-(2-Isocyanatoethyl)-4-methoxybenzene
Property Insights of 1-(2-Isocyanatoethyl)-4-methoxybenzene
The XLogP value of 1.5735 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2-Isocyanatoethyl)-4-methoxybenzene. With a topological polar surface area (TPSA) of 38.66 Ų, 1-(2-Isocyanatoethyl)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Isocyanatoethyl)-4-methoxybenzene 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 1-(2-Isocyanatoethyl)-4-methoxybenzene?
The CAS number of 1-(2-Isocyanatoethyl)-4-methoxybenzene is 52634-59-0.
What is the molecular formula of 1-(2-Isocyanatoethyl)-4-methoxybenzene?
The molecular formula of 1-(2-Isocyanatoethyl)-4-methoxybenzene is C10H11NO2.
What is the molecular weight of 1-(2-Isocyanatoethyl)-4-methoxybenzene?
The molecular weight of 1-(2-Isocyanatoethyl)-4-methoxybenzene is 177.08 g/mol.
Where can I buy 1-(2-Isocyanatoethyl)-4-methoxybenzene?
You can request a quote for 1-(2-Isocyanatoethyl)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Isocyanatoethyl)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Isocyanatoethyl)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.