Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)
TL;DR: Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) (CAS 6054-59-7) is a chemical compound with molecular formula C20H20BrN3O3 and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide
Also Known As: EINECS 227-968-9, Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate), BIM-0042917.P001, 1-(4-bromophenyl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide, Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulfate)
| Molecular Formula | C20H20BrN3O3 |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 3.351 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.0688 |
| Heavy Atoms | 27 |
| Complexity | 834.55536 |
Chemical Identifiers
| CAS Number | 6054-59-7 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=N\NC(=O)C2CC(=O)N(C2)C3=CC=C(C=C3)Br |
Product Overview
Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) (CAS 6054-59-7), with molecular formula C20H20BrN3O3 and molecular weight 429.07 g/mol. IUPAC: 1-(4-bromophenyl)-N-[(Z)-(4-ethoxyphenyl)methylideneamino]-5-oxopyrrolidine-3-carboxamide.
Chemical Property Profile of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)
Property Insights of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)
The XLogP value of 3.351 indicates that Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate). Following Lipinski's Rule of Five, Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) has 1 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 Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)?
The CAS number of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) is 6054-59-7.
What is the molecular formula of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)?
The molecular formula of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) is C20H20BrN3O3.
What is the molecular weight of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)?
The molecular weight of Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) is 429.07 g/mol.
Where can I buy Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)?
You can request a quote for Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)?
Yes, KEHONG BIO provides custom synthesis services for Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.