RefChem:1087628
TL;DR: RefChem:1087628 (CAS 28275-34-5) is a chemical compound with molecular formula C36H43ClN4O9 and molecular weight 710.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide;bis((Z)-4-hydroxy-4-oxobut-2-enoate)
Also Known As: Isonipecotamide, 1-(3-(3-chloro-5H-dibenz(b,f)azepin-5-yl)propyl)-4-piperidino-, maleate (1:2), ISONIPECOTAMIDE, 1-(3-(3-CHLORO-5H-DIBENZ(b,f)AZEPIN-5-YL)PROPYL)-4-PIPERIDINO-,, 1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide; (Z)-4-hydroxy-4-oxobut-2-enoate, RefChem:1087628
| Molecular Formula | C36H43ClN4O9 |
|---|---|
| Molecular Weight | 710.27 g/mol |
| LogP | -0.9222 |
| Topological Polar Surface Area | 210.07 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 710.27185 |
| Heavy Atoms | 50 |
| Complexity | 1544.1836 |
Chemical Identifiers
| CAS Number | 28275-34-5 |
|---|---|
| SMILES | C1CC[NH+](CC1)C2(CC[NH+](CC2)CCCN3C4=C(C=CC(=C4)Cl)C=CC5=CC=CC=C35)C(=O)N.C(=C\C(=O)[O-])\C(=O)O.C(=C\C(=O)[O-])\C(=O)O |
Product Overview
RefChem:1087628 (CAS 28275-34-5), with molecular formula C36H43ClN4O9 and molecular weight 710.27 g/mol. IUPAC: 1-[3-(2-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-piperidin-1-ium-1-ylpiperidin-1-ium-4-carboxamide;bis((Z)-4-hydroxy-4-oxobut-2-enoate).
Chemical Property Profile of RefChem:1087628
Property Insights of RefChem:1087628
The XLogP value of -0.9222 indicates that RefChem:1087628 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:1087628 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1087628 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:1087628?
The CAS number of RefChem:1087628 is 28275-34-5.
What is the molecular formula of RefChem:1087628?
The molecular formula of RefChem:1087628 is C36H43ClN4O9.
What is the molecular weight of RefChem:1087628?
The molecular weight of RefChem:1087628 is 710.27 g/mol.
Where can I buy RefChem:1087628?
You can request a quote for RefChem:1087628 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1087628?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1087628 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.