RefChem:90113
TL;DR: RefChem:90113 (CAS 65059-99-6) is a chemical compound with molecular formula C23H26N4O8S and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,11-diamino-1,3,5,10-tetraoxonaphtho[2,3-f]isoindol-2-yl)propyl-trimethylazanium;methyl sulfate
Also Known As: 2H-Naphth[2,3-f]isoindole-2-propanaminium, 4,11-diamino-1,3,5,10-tetrahydro-N,N,N-trimethyl-1,3,5,10-tetraoxo-, methyl sulfate, 2-(3-methyl-6-oxopyridazin-1(6h)-yl)butanehydrazide, 2H-Naphth(2,3-f)isoindole-2-propanaminium, 4,11-diamino-1,3,5,10-tetrahydro-N,N,N-trimethyl-1,3,5,10-tetraoxo-, methyl sulfate, 2H-Naphth(2,3-f)isoindole-2-propanaminium, 4,11-diamino-1,3,5,10-tetrahydro-N,N,N-trimethyl-1,3,5,10-tetraoxo-, methyl sulfate (1:1), 3-(4,11-diamino-1,3,5,10-tetraoxo-1,3,5,10-tetrahydro-2h-naphtho[2,3-f]isoindol-2-yl)-n,n,n-trimethylpropan-1-aminium methyl sulfate
| Molecular Formula | C23H26N4O8S |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | -0.38 |
| Topological Polar Surface Area | 198.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.14716 |
| Heavy Atoms | 36 |
| Complexity | 812.0 |
Chemical Identifiers
| CAS Number | 65059-99-6 |
|---|---|
| SMILES | C[N+](C)(C)CCCN1C(=O)C2=C(C3=C(C(=C2C1=O)N)C(=O)C4=CC=CC=C4C3=O)N.COS(=O)(=O)[O-] |
| InChIKey | RIWDLBNPZORBAT-UHFFFAOYSA-N |
Product Overview
RefChem:90113 (CAS 65059-99-6), with molecular formula C23H26N4O8S and molecular weight 518.15 g/mol. IUPAC: 3-(4,11-diamino-1,3,5,10-tetraoxonaphtho[2,3-f]isoindol-2-yl)propyl-trimethylazanium;methyl sulfate.
Chemical Property Profile of RefChem:90113
Property Insights of RefChem:90113
The XLogP value of -0.38 indicates that RefChem:90113 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.0 Ų indicates high polarity, suggesting RefChem:90113 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:90113 has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:90113?
The CAS number of RefChem:90113 is 65059-99-6.
What is the molecular formula of RefChem:90113?
The molecular formula of RefChem:90113 is C23H26N4O8S.
What is the molecular weight of RefChem:90113?
The molecular weight of RefChem:90113 is 518.15 g/mol.
Where can I buy RefChem:90113?
You can request a quote for RefChem:90113 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:90113?
Yes, KEHONG BIO provides custom synthesis services for RefChem:90113 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.