4'-Nitro-5'-(picrylamino)benzo-18-crown-6
TL;DR: 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 (CAS 74305-50-3) is a chemical compound with molecular formula C22H25N5O14 and molecular weight 583.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-nitro-N-(2,4,6-trinitrophenyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine
Also Known As: Takagi inverted exclamation mark s reagent, 4'-NITRO-5'-(PICRYLAMINO)BENZO-18-CROWN-6, 4'-NITRO-5'- BENZO-18-CROWN-6, 4 -Picrylamino-5 -nitrobenzo-18-crown-6, 20-nitro-N-(2,4,6-trinitrophenyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-21-amine
| Molecular Formula | C22H25N5O14 |
|---|---|
| Molecular Weight | 583.14 g/mol |
| LogP | 2.9006 |
| Topological Polar Surface Area | 239.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 583.1398 |
| Heavy Atoms | 41 |
| Complexity | 1238.4744 |
Chemical Identifiers
| CAS Number | 74305-50-3 |
|---|---|
| SMILES | C1COCCOCCOC2=C(C=C(C(=C2)[N+](=O)[O-])NC3=C(C=C(C=C3[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])OCCOCCO1 |
Product Overview
4'-Nitro-5'-(picrylamino)benzo-18-crown-6 (CAS 74305-50-3), with molecular formula C22H25N5O14 and molecular weight 583.14 g/mol. IUPAC: 21-nitro-N-(2,4,6-trinitrophenyl)-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-trien-20-amine.
Chemical Property Profile of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6
Property Insights of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6
The XLogP value of 2.9006 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Nitro-5'-(picrylamino)benzo-18-crown-6. The TPSA of 239.97 Ų indicates high polarity, suggesting 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6?
The CAS number of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 is 74305-50-3.
What is the molecular formula of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6?
The molecular formula of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 is C22H25N5O14.
What is the molecular weight of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6?
The molecular weight of 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 is 583.14 g/mol.
Where can I buy 4'-Nitro-5'-(picrylamino)benzo-18-crown-6?
You can request a quote for 4'-Nitro-5'-(picrylamino)benzo-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'-Nitro-5'-(picrylamino)benzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for 4'-Nitro-5'-(picrylamino)benzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.