RefChem:1083293
TL;DR: RefChem:1083293 (CAS 18180-87-5) is a chemical compound with molecular formula C35H43N3O12 and molecular weight 697.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris((Z)-but-2-enedioic acid);11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine
Also Known As: 5,6,7,12-Tetrahydro-6-(3-(4-methyl-1-piperazinyl)propyl)-dibenz(c,f)azocine maleate (1:3), Dibenz(c,f)azocine, 5,6,7,12-tetrahydro-6-(3-(4-methyl-1-piperazinyl)propyl)-, maleate (1:3), (Z)-but-2-enedioic acid; 11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine, RefChem:1083293
| Molecular Formula | C35H43N3O12 |
|---|---|
| Molecular Weight | 697.28 g/mol |
| LogP | 2.3659 |
| Topological Polar Surface Area | 233.52 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 697.28467 |
| Heavy Atoms | 50 |
| Complexity | 1351.947 |
Chemical Identifiers
| CAS Number | 18180-87-5 |
|---|---|
| SMILES | CN1CCN(CC1)CCCN2CC3=CC=CC=C3CC4=CC=CC=C4C2.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1083293 (CAS 18180-87-5), with molecular formula C35H43N3O12 and molecular weight 697.28 g/mol. IUPAC: tris((Z)-but-2-enedioic acid);11-[3-(4-methylpiperazin-1-yl)propyl]-10,12-dihydro-5H-benzo[d][2]benzazocine.
Chemical Property Profile of RefChem:1083293
Property Insights of RefChem:1083293
The XLogP value of 2.3659 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1083293. The TPSA of 233.52 Ų indicates high polarity, suggesting RefChem:1083293 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1083293 has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1083293?
The CAS number of RefChem:1083293 is 18180-87-5.
What is the molecular formula of RefChem:1083293?
The molecular formula of RefChem:1083293 is C35H43N3O12.
What is the molecular weight of RefChem:1083293?
The molecular weight of RefChem:1083293 is 697.28 g/mol.
Where can I buy RefChem:1083293?
You can request a quote for RefChem:1083293 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1083293?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1083293 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.