RefChem:1076047
TL;DR: RefChem:1076047 (CAS 28121-29-1) is a chemical compound with molecular formula C35H45N3O8 and molecular weight 635.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Acridan, 9,9-dimethyl-10-(3-(4-(1-pyrrolidinyl)piperidino)propyl)-, maleate (1:2), 9,9-Dimethyl-10-(3-(4-(1-pyrrolidinyl)piperidino)propyl)-acridan maleate (1:2), 9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1076047
| Molecular Formula | C35H45N3O8 |
|---|---|
| Molecular Weight | 635.32 g/mol |
| LogP | -0.6657 |
| Topological Polar Surface Area | 166.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 635.3207 |
| Heavy Atoms | 46 |
| Complexity | 1290.5574 |
Chemical Identifiers
| CAS Number | 28121-29-1 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C3=CC=CC=C13)CCC[NH+]4CCC(CC4)[NH+]5CCCC5)C.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1076047 (CAS 28121-29-1), with molecular formula C35H45N3O8 and molecular weight 635.32 g/mol. IUPAC: 9,9-dimethyl-10-[3-(4-pyrrolidin-1-ium-1-ylpiperidin-1-ium-1-yl)propyl]acridine;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1076047
Property Insights of RefChem:1076047
The XLogP value of -0.6657 indicates that RefChem:1076047 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.98 Ų indicates high polarity, suggesting RefChem:1076047 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1076047 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1076047?
The CAS number of RefChem:1076047 is 28121-29-1.
What is the molecular formula of RefChem:1076047?
The molecular formula of RefChem:1076047 is C35H45N3O8.
What is the molecular weight of RefChem:1076047?
The molecular weight of RefChem:1076047 is 635.32 g/mol.
Where can I buy RefChem:1076047?
You can request a quote for RefChem:1076047 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1076047?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1076047 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.