cis-4,4'-Dinitrodibenzo-18-crown-6
TL;DR: cis-4,4'-Dinitrodibenzo-18-crown-6 (CAS 32082-46-5) is a chemical compound with molecular formula C20H22N2O10 and molecular weight 450.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11,25-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
Also Known As: cis-4,4'-Dinitrodibenzo-18-crown-6, cis-Dinitrodibenzo-18-crown-6, 20,25-Dinitro-dibenzo-18-crown-6, J1.008.907G, 11,25-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene
| Molecular Formula | C20H22N2O10 |
|---|---|
| Molecular Weight | 450.13 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 0 |
| Exact Mass | 450.12744 |
| Heavy Atoms | 32 |
| Complexity | 536.0 |
Chemical Identifiers
| CAS Number | 32082-46-5 |
|---|---|
| SMILES | C1COC2=C(C=C(C=C2)[N+](=O)[O-])OCCOCCOC3=C(C=CC(=C3)[N+](=O)[O-])OCCO1 |
| InChIKey | MPOLKZXHLALNKZ-UHFFFAOYSA-N |
Product Overview
cis-4,4'-Dinitrodibenzo-18-crown-6 (CAS 32082-46-5), with molecular formula C20H22N2O10 and molecular weight 450.13 g/mol. IUPAC: 11,25-dinitro-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene.
Chemical Property Profile of cis-4,4'-Dinitrodibenzo-18-crown-6
Property Insights of cis-4,4'-Dinitrodibenzo-18-crown-6
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-4,4'-Dinitrodibenzo-18-crown-6. The TPSA of 147.0 Ų indicates high polarity, suggesting cis-4,4'-Dinitrodibenzo-18-crown-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cis-4,4'-Dinitrodibenzo-18-crown-6 has 0 hydrogen bond donor(s) and 10 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 cis-4,4'-Dinitrodibenzo-18-crown-6?
The CAS number of cis-4,4'-Dinitrodibenzo-18-crown-6 is 32082-46-5.
What is the molecular formula of cis-4,4'-Dinitrodibenzo-18-crown-6?
The molecular formula of cis-4,4'-Dinitrodibenzo-18-crown-6 is C20H22N2O10.
What is the molecular weight of cis-4,4'-Dinitrodibenzo-18-crown-6?
The molecular weight of cis-4,4'-Dinitrodibenzo-18-crown-6 is 450.13 g/mol.
Where can I buy cis-4,4'-Dinitrodibenzo-18-crown-6?
You can request a quote for cis-4,4'-Dinitrodibenzo-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 cis-4,4'-Dinitrodibenzo-18-crown-6?
Yes, KEHONG BIO provides custom synthesis services for cis-4,4'-Dinitrodibenzo-18-crown-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.