RefChem:1073441
TL;DR: RefChem:1073441 (CAS 118989-87-0) is a chemical compound with molecular formula C29H31N3O9 and molecular weight 565.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone;bis((E)-but-2-enedioic acid)
Also Known As: 5H-Dibenz(b,f)azepine, 5-((4-methyl-1-piperazinyl)acetyl)-, (Z)-2-butenedioate (1:2), 5-(2-(4-Methyl-1-piperazinyl)acetyl)-5H-dibenz(b,f)azepine bis(hydrogen maleate), 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone; (E)-but-2-enedioic acid, RefChem:1073441
| Molecular Formula | C29H31N3O9 |
|---|---|
| Molecular Weight | 565.21 g/mol |
| LogP | 2.5061 |
| Topological Polar Surface Area | 175.99 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 565.20605 |
| Heavy Atoms | 41 |
| Complexity | 1227.0475 |
Chemical Identifiers
| CAS Number | 118989-87-0 |
|---|---|
| SMILES | CN1CCN(CC1)CC(=O)N2C3=CC=CC=C3C=CC4=CC=CC=C24.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1073441 (CAS 118989-87-0), with molecular formula C29H31N3O9 and molecular weight 565.21 g/mol. IUPAC: 1-benzo[b][1]benzazepin-11-yl-2-(4-methylpiperazin-1-yl)ethanone;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1073441
Property Insights of RefChem:1073441
The XLogP value of 2.5061 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1073441. The TPSA of 175.99 Ų indicates high polarity, suggesting RefChem:1073441 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1073441 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:1073441?
The CAS number of RefChem:1073441 is 118989-87-0.
What is the molecular formula of RefChem:1073441?
The molecular formula of RefChem:1073441 is C29H31N3O9.
What is the molecular weight of RefChem:1073441?
The molecular weight of RefChem:1073441 is 565.21 g/mol.
Where can I buy RefChem:1073441?
You can request a quote for RefChem:1073441 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1073441?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1073441 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.