1-(1-Isocyanoethyl)-3-methoxybenzene
TL;DR: 1-(1-Isocyanoethyl)-3-methoxybenzene (CAS 1037841-96-5) 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-(1-isocyanoethyl)-3-methoxybenzene
Also Known As: 1-(1-isocyanoethyl)-3-methoxybenzene, 1-(1-isocyanoethyl)-3-methoxy-benzene
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.67549 |
| Topological Polar Surface Area | 13.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 300.95206 |
Chemical Identifiers
| CAS Number | 1037841-96-5 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)OC)[N+]#[C-] |
Product Overview
1-(1-Isocyanoethyl)-3-methoxybenzene (CAS 1037841-96-5), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: 1-(1-isocyanoethyl)-3-methoxybenzene.
Chemical Property Profile of 1-(1-Isocyanoethyl)-3-methoxybenzene
Property Insights of 1-(1-Isocyanoethyl)-3-methoxybenzene
The XLogP value of 2.67549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1-Isocyanoethyl)-3-methoxybenzene. With a topological polar surface area (TPSA) of 13.59 Ų, 1-(1-Isocyanoethyl)-3-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1-Isocyanoethyl)-3-methoxybenzene 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-(1-Isocyanoethyl)-3-methoxybenzene?
The CAS number of 1-(1-Isocyanoethyl)-3-methoxybenzene is 1037841-96-5.
What is the molecular formula of 1-(1-Isocyanoethyl)-3-methoxybenzene?
The molecular formula of 1-(1-Isocyanoethyl)-3-methoxybenzene is C10H11NO.
What is the molecular weight of 1-(1-Isocyanoethyl)-3-methoxybenzene?
The molecular weight of 1-(1-Isocyanoethyl)-3-methoxybenzene is 161.08 g/mol.
Where can I buy 1-(1-Isocyanoethyl)-3-methoxybenzene?
You can request a quote for 1-(1-Isocyanoethyl)-3-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1-Isocyanoethyl)-3-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(1-Isocyanoethyl)-3-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.