4'-Isocyanato-5'-nitrobenzo-15-crown-5
TL;DR: 4'-Isocyanato-5'-nitrobenzo-15-crown-5 (CAS 83935-64-2) is a chemical compound with molecular formula C15H18N2O8 and molecular weight 354.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-isocyanato-18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene
Also Known As: 4'-Isocyanato-5'-nitrobenzo-15-crown-5, 17-Isocyanato-18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene, 18-isocyanato-17-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene, 15-Isocyanato-16-nitro-2,3,5,6,8,9,11,12-octahydrobenzo[b][1,4,7,10,13]pentaoxacyclopentadecine
| Molecular Formula | C15H18N2O8 |
|---|---|
| Molecular Weight | 354.11 g/mol |
| LogP | 1.3831 |
| Topological Polar Surface Area | 118.72 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 354.10632 |
| Heavy Atoms | 25 |
| Complexity | 591.2025 |
Chemical Identifiers
| CAS Number | 83935-64-2 |
|---|---|
| SMILES | C1COCCOC2=C(C=C(C(=C2)N=C=O)[N+](=O)[O-])OCCOCCO1 |
Product Overview
4'-Isocyanato-5'-nitrobenzo-15-crown-5 (CAS 83935-64-2), with molecular formula C15H18N2O8 and molecular weight 354.11 g/mol. IUPAC: 17-isocyanato-18-nitro-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(15),16,18-triene.
Chemical Property Profile of 4'-Isocyanato-5'-nitrobenzo-15-crown-5
Property Insights of 4'-Isocyanato-5'-nitrobenzo-15-crown-5
The XLogP value of 1.3831 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Isocyanato-5'-nitrobenzo-15-crown-5. The TPSA of 118.72 Ų falls within the moderate polarity range, balancing permeability and solubility for 4'-Isocyanato-5'-nitrobenzo-15-crown-5. Following Lipinski's Rule of Five, 4'-Isocyanato-5'-nitrobenzo-15-crown-5 has 0 hydrogen bond donor(s) and 9 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'-Isocyanato-5'-nitrobenzo-15-crown-5?
The CAS number of 4'-Isocyanato-5'-nitrobenzo-15-crown-5 is 83935-64-2.
What is the molecular formula of 4'-Isocyanato-5'-nitrobenzo-15-crown-5?
The molecular formula of 4'-Isocyanato-5'-nitrobenzo-15-crown-5 is C15H18N2O8.
What is the molecular weight of 4'-Isocyanato-5'-nitrobenzo-15-crown-5?
The molecular weight of 4'-Isocyanato-5'-nitrobenzo-15-crown-5 is 354.11 g/mol.
Where can I buy 4'-Isocyanato-5'-nitrobenzo-15-crown-5?
You can request a quote for 4'-Isocyanato-5'-nitrobenzo-15-crown-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Isocyanato-5'-nitrobenzo-15-crown-5?
Yes, KEHONG BIO provides custom synthesis services for 4'-Isocyanato-5'-nitrobenzo-15-crown-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.