6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine
TL;DR: 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine (CAS 1044138-64-8) is a chemical compound with molecular formula C11H11NO2 and molecular weight 189.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1-isocyanoethyl)-2,3-dihydro-1,4-benzodioxine
Also Known As: 6-(1-isocyanoethyl)-2,3-dihydro-1,4-benzodioxine, 3-(1-isocyanoethyl)-7,10-dioxabicyclo[4.4.0]deca-2,4,11-triene
| Molecular Formula | C11H11NO2 |
|---|---|
| Molecular Weight | 189.08 g/mol |
| LogP | 2.43809 |
| Topological Polar Surface Area | 22.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.07898 |
| Heavy Atoms | 14 |
| Complexity | 381.3642 |
Chemical Identifiers
| CAS Number | 1044138-64-8 |
|---|---|
| SMILES | CC(C1=CC2=C(C=C1)OCCO2)[N+]#[C-] |
Product Overview
6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine (CAS 1044138-64-8), with molecular formula C11H11NO2 and molecular weight 189.08 g/mol. IUPAC: 6-(1-isocyanoethyl)-2,3-dihydro-1,4-benzodioxine.
Chemical Property Profile of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine
Property Insights of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine
The XLogP value of 2.43809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine. With a topological polar surface area (TPSA) of 22.82 Ų, 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine 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 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine?
The CAS number of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine is 1044138-64-8.
What is the molecular formula of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular formula of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine is C11H11NO2.
What is the molecular weight of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine?
The molecular weight of 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine is 189.08 g/mol.
Where can I buy 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine?
You can request a quote for 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine?
Yes, KEHONG BIO provides custom synthesis services for 6-(1-Isocyanoethyl)-2,3-dihydro-1,4-benzodioxine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.