RefChem:1056537
TL;DR: RefChem:1056537 (CAS 57536-83-1) is a chemical compound with molecular formula C29H34N2O9S2 and molecular weight 618.17 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-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol
Also Known As: 4-(10,11-Dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-1-piperazineethanol maleate (1:2), 1-Piperazineethanol, 4-(10,11-dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:2), (E)-but-2-enedioic acid; 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol, RefChem:1056537
| Molecular Formula | C29H34N2O9S2 |
|---|---|
| Molecular Weight | 618.17 g/mol |
| LogP | 3.1904 |
| Topological Polar Surface Area | 175.91 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 618.1706 |
| Heavy Atoms | 42 |
| Complexity | 1225.616 |
Chemical Identifiers
| CAS Number | 57536-83-1 |
|---|---|
| SMILES | CSC1=CC2=C(SC3=CC=CC=C3C(C2)N4CCN(CC4)CCO)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1056537 (CAS 57536-83-1), with molecular formula C29H34N2O9S2 and molecular weight 618.17 g/mol. IUPAC: bis((E)-but-2-enedioic acid);2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazin-1-yl]ethanol.
Chemical Property Profile of RefChem:1056537
Property Insights of RefChem:1056537
The XLogP value of 3.1904 indicates that RefChem:1056537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 175.91 Ų indicates high polarity, suggesting RefChem:1056537 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1056537 has 5 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:1056537?
The CAS number of RefChem:1056537 is 57536-83-1.
What is the molecular formula of RefChem:1056537?
The molecular formula of RefChem:1056537 is C29H34N2O9S2.
What is the molecular weight of RefChem:1056537?
The molecular weight of RefChem:1056537 is 618.17 g/mol.
Where can I buy RefChem:1056537?
You can request a quote for RefChem:1056537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1056537?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1056537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.