RefChem:1056582
TL;DR: RefChem:1056582 (CAS 84964-52-3) is a chemical compound with molecular formula C34H36N2O9S and molecular weight 648.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);2-[4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazin-1-yl]ethanol
Also Known As: 3-(4-(2-Hydroxyethyl)piperazino)-11-phenyl-6,11-dihydrodibenzo(b,e)thiepin bismaleate hydrate, 1-Piperazineethanol, 4-(6,11-dihydro-11-phenyldibenzo(b,e)thiepin-3-yl)-, (Z)-2-butenedioate, hydrate (2:4:5), (E)-but-2-enedioic acid,2-[4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazin-1-yl]ethanol, (E)-but-2-enedioic acid; 2-[4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazin-1-yl]ethanol, N,N-Diethyl-N'-(5-phenyl-5,11-dihydro-10-thia-dibenzo[a,d]cyclohepten-5-yl)-ethane-1,2-diamine
| Molecular Formula | C34H36N2O9S |
|---|---|
| Molecular Weight | 648.21 g/mol |
| LogP | 4.0104 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 648.2142 |
| Heavy Atoms | 46 |
| Complexity | 1485.1737 |
Chemical Identifiers
| CAS Number | 84964-52-3 |
|---|---|
| SMILES | C1N(CCN(C1)C2=CC3=C(C(C4=CC=CC=C4CS3)C5=CC=CC=C5)C=C2)CCO.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056582 (CAS 84964-52-3), with molecular formula C34H36N2O9S and molecular weight 648.21 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-(11-phenyl-6,11-dihydrobenzo[c][1]benzothiepin-3-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056582
Property Insights of RefChem:1056582
The XLogP value of 4.0104 indicates that RefChem:1056582 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056582 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056582 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:1056582?
The CAS number of RefChem:1056582 is 84964-52-3.
What is the molecular formula of RefChem:1056582?
The molecular formula of RefChem:1056582 is C34H36N2O9S.
What is the molecular weight of RefChem:1056582?
The molecular weight of RefChem:1056582 is 648.21 g/mol.
Where can I buy RefChem:1056582?
You can request a quote for RefChem:1056582 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056582?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056582 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.