RefChem:1100071
TL;DR: RefChem:1100071 (CAS 25616-72-2) is a chemical compound with molecular formula C32H39N3O11S2 and molecular weight 705.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide
Also Known As: Phenol,4-(1,1-dimethylethyl)-,carbonate (2:1), Thioxanthene-2-sulfonamide, N,N-dimethyl-9-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-propylidene)-, dimaleate, (E)-, (E)-but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide, but-2-enedioic acid; (9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethyl-thioxanthene-2-sulfonamide, RefChem:1100071
| Molecular Formula | C32H39N3O11S2 |
|---|---|
| Molecular Weight | 705.20 g/mol |
| LogP | 2.2568 |
| Topological Polar Surface Area | 213.29 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 705.2026 |
| Heavy Atoms | 48 |
| Complexity | 1580.0043 |
Chemical Identifiers
| CAS Number | 25616-72-2 |
|---|---|
| SMILES | CN(S(=O)(=O)C1=CC\2=C(SC3=CC=CC=C3/C2=C\CCN4CCN(CC4)CCO)C=C1)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1100071 (CAS 25616-72-2), with molecular formula C32H39N3O11S2 and molecular weight 705.20 g/mol. IUPAC: bis((E)-but-2-enedioic acid);(9E)-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]-N,N-dimethylthioxanthene-2-sulfonamide.
Chemical Property Profile of RefChem:1100071
Property Insights of RefChem:1100071
The XLogP value of 2.2568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1100071. The TPSA of 213.29 Ų indicates high polarity, suggesting RefChem:1100071 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1100071 has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1100071?
The CAS number of RefChem:1100071 is 25616-72-2.
What is the molecular formula of RefChem:1100071?
The molecular formula of RefChem:1100071 is C32H39N3O11S2.
What is the molecular weight of RefChem:1100071?
The molecular weight of RefChem:1100071 is 705.20 g/mol.
Where can I buy RefChem:1100071?
You can request a quote for RefChem:1100071 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1100071?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1100071 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.