4'-Isocyanatobenzo-18-crown-6
TL;DR: 4'-Isocyanatobenzo-18-crown-6 (CAS 83935-63-1) is a chemical compound with molecular formula C17H23NO7 and molecular weight 353.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
Also Known As: 4'-Isocyanatobenzo-18-crown-6, J1.912.663C, 3,4-[Ethylenebis(oxyethyleneoxyethyleneoxy)]phenyl isocyanate, 20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene, 1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-hexadecahydrobenzo[a][18]annulen-18-iso cyanate
| Molecular Formula | C17H23NO7 |
|---|---|
| Molecular Weight | 353.15 g/mol |
| LogP | 1.4915 |
| Topological Polar Surface Area | 84.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 353.14746 |
| Heavy Atoms | 25 |
| Complexity | 545.7979 |
Chemical Identifiers
| CAS Number | 83935-63-1 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=CC(=C2)N=C=O)OCCOCCO1 |
Product Overview
4'-Isocyanatobenzo-18-crown-6 (CAS 83935-63-1), with molecular formula C17H23NO7 and molecular weight 353.15 g/mol. IUPAC: 20-isocyanato-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene.
Chemical Property Profile of 4'-Isocyanatobenzo-18-crown-6
Property Insights of 4'-Isocyanatobenzo-18-crown-6
The XLogP value of 1.4915 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Isocyanatobenzo-18-crown-6. The TPSA of 84.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Isocyanatobenzo-18-crown-6. Following Lipinski's Rule of Five, 4'-Isocyanatobenzo-18-crown-6 has 0 hydrogen bond donor(s) and 8 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 4'-Isocyanatobenzo-18-crown-6?
The CAS number of 4'-Isocyanatobenzo-18-crown-6 is 83935-63-1.
What is the molecular formula of 4'-Isocyanatobenzo-18-crown-6?
The molecular formula of 4'-Isocyanatobenzo-18-crown-6 is C17H23NO7.
What is the molecular weight of 4'-Isocyanatobenzo-18-crown-6?
The molecular weight of 4'-Isocyanatobenzo-18-crown-6 is 353.15 g/mol.
Where can I buy 4'-Isocyanatobenzo-18-crown-6?
You can request a quote for 4'-Isocyanatobenzo-18-crown-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Isocyanatobenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4'-Isocyanatobenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.