5-Isocyanato-1,3-dioxaindane
TL;DR: 5-Isocyanato-1,3-dioxaindane (CAS 69922-28-7) is a chemical compound with molecular formula C8H5NO3 and molecular weight 163.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-isocyanato-1,3-benzodioxole
Also Known As: 5-isocyanato-1,3-benzodioxole, 3,4-(Methylenedioxy)phenyl isocyanate, null, 5-isocyanato-2H-1,3-benzodioxole, 5-isocyanatobenzo[d][1,3]dioxole
| Molecular Formula | C8H5NO3 |
|---|---|
| Molecular Weight | 163.03 g/mol |
| LogP | 1.3826 |
| Topological Polar Surface Area | 47.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 163.02695 |
| Heavy Atoms | 12 |
| Complexity | 355.32065 |
Chemical Identifiers
| CAS Number | 69922-28-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)N=C=O |
Product Overview
5-Isocyanato-1,3-dioxaindane (CAS 69922-28-7), with molecular formula C8H5NO3 and molecular weight 163.03 g/mol. IUPAC: 5-isocyanato-1,3-benzodioxole.
Chemical Property Profile of 5-Isocyanato-1,3-dioxaindane
Property Insights of 5-Isocyanato-1,3-dioxaindane
The XLogP value of 1.3826 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isocyanato-1,3-dioxaindane. With a topological polar surface area (TPSA) of 47.89 Ų, 5-Isocyanato-1,3-dioxaindane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isocyanato-1,3-dioxaindane has 0 hydrogen bond donor(s) and 4 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 5-Isocyanato-1,3-dioxaindane?
The CAS number of 5-Isocyanato-1,3-dioxaindane is 69922-28-7.
What is the molecular formula of 5-Isocyanato-1,3-dioxaindane?
The molecular formula of 5-Isocyanato-1,3-dioxaindane is C8H5NO3.
What is the molecular weight of 5-Isocyanato-1,3-dioxaindane?
The molecular weight of 5-Isocyanato-1,3-dioxaindane is 163.03 g/mol.
Where can I buy 5-Isocyanato-1,3-dioxaindane?
You can request a quote for 5-Isocyanato-1,3-dioxaindane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Isocyanato-1,3-dioxaindane?
Yes, KEHONG BIO provides custom synthesis services for 5-Isocyanato-1,3-dioxaindane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.