RefChem:1087629
TL;DR: RefChem:1087629 (CAS 28121-32-6) is a chemical compound with molecular formula C38H50N4O9 and molecular weight 706.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(9,9-dimethylacridin-10-yl)-2-methylpropyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: C30H42N4O.2C4H4O4.1/2H2O, C30-H42-N4-O.2C4-H4-O4.1/2H2-O, Isonipecotamide, 1-(3-(9,9-dimethyl-10-acridanyl)-2-methylpropyl)-4-piperidino-, maleate, hydrate (2:4:1), ISONIPECOTAMIDE, 1-(3-(9,9-DIMETHYL-10-ACRIDANYL)-2-METHYLPROPYL)-4-PIPERIDINO-,, 1-[3-(9,9-dimethylacridin-10-yl)-2-methylpropyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide; (Z)-4-hydroxy-4-oxobut-2-enoate
| Molecular Formula | C38H50N4O9 |
|---|---|
| Molecular Weight | 706.36 g/mol |
| LogP | -1.1741 |
| Topological Polar Surface Area | 210.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 706.3578 |
| Heavy Atoms | 51 |
| Complexity | 1490.2355 |
Chemical Identifiers
| CAS Number | 28121-32-6 |
|---|---|
| SMILES | CC(CN1C2=CC=CC=C2C(C3=CC=CC=C13)(C)C)C[NH+]4CCC(CC4)([NH+]5CCCCC5)C(=O)N.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1087629 (CAS 28121-32-6), with molecular formula C38H50N4O9 and molecular weight 706.36 g/mol. IUPAC: 1-[3-(9,9-dimethylacridin-10-yl)-2-methylpropyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1087629
Property Insights of RefChem:1087629
The XLogP value of -1.1741 indicates that RefChem:1087629 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.07 Ų indicates high polarity, suggesting RefChem:1087629 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087629 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1087629?
The CAS number of RefChem:1087629 is 28121-32-6.
What is the molecular formula of RefChem:1087629?
The molecular formula of RefChem:1087629 is C38H50N4O9.
What is the molecular weight of RefChem:1087629?
The molecular weight of RefChem:1087629 is 706.36 g/mol.
Where can I buy RefChem:1087629?
You can request a quote for RefChem:1087629 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087629?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087629 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.