RefChem:1095707
TL;DR: RefChem:1095707 (CAS 57536-63-7) is a chemical compound with molecular formula C28H32N2O8S2 and molecular weight 588.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine
Also Known As: Piperazine, 1-(10,11-dihydro-2-(methylthio)dibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:2), 2-(Methylthio)-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin di(hydrogen maleate), (E)-but-2-enedioic acid; 1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine, RefChem:1095707
| Molecular Formula | C28H32N2O8S2 |
|---|---|
| Molecular Weight | 588.16 g/mol |
| LogP | 3.8279 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 588.16003 |
| Heavy Atoms | 40 |
| Complexity | 1190.6206 |
Chemical Identifiers
| CAS Number | 57536-63-7 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=CC=CC=C3SC4=C(C2)C=C(C=C4)SC.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095707 (CAS 57536-63-7), with molecular formula C28H32N2O8S2 and molecular weight 588.16 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)piperazine.
Chemical Property Profile of RefChem:1095707
Property Insights of RefChem:1095707
The XLogP value of 3.8279 indicates that RefChem:1095707 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095707 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095707 has 4 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:1095707?
The CAS number of RefChem:1095707 is 57536-63-7.
What is the molecular formula of RefChem:1095707?
The molecular formula of RefChem:1095707 is C28H32N2O8S2.
What is the molecular weight of RefChem:1095707?
The molecular weight of RefChem:1095707 is 588.16 g/mol.
Where can I buy RefChem:1095707?
You can request a quote for RefChem:1095707 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095707?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.