RefChem:1095866
TL;DR: RefChem:1095866 (CAS 74801-44-8) is a chemical compound with molecular formula C28H31ClN2O8S and molecular weight 590.15 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-[4-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine
Also Known As: Piperazine, 1-(4-((4-chlorophenyl)thio)-2,3-dihydro-1H-inden-1-yl)-4-methyl-, (Z)-2-butenedioate (1:2), 4-(4-Chlorophenylthio)-1-(4-methylpiperazino)indane bis(hydrogen maleate), (E)-but-2-enedioic acid,1-[4-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine, (E)-but-2-enedioic acid; 1-[4-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine, RefChem:1095866
| Molecular Formula | C28H31ClN2O8S |
|---|---|
| Molecular Weight | 590.15 g/mol |
| LogP | 4.1495 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 590.149 |
| Heavy Atoms | 40 |
| Complexity | 1175.3706 |
Chemical Identifiers
| CAS Number | 74801-44-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2C3=C(C(=CC=C3)SC4=CC=C(C=C4)Cl)CC2.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095866 (CAS 74801-44-8), with molecular formula C28H31ClN2O8S and molecular weight 590.15 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-[4-(4-chlorophenyl)sulfanyl-2,3-dihydro-1H-inden-1-yl]-4-methylpiperazine.
Chemical Property Profile of RefChem:1095866
Property Insights of RefChem:1095866
The XLogP value of 4.1495 indicates that RefChem:1095866 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1095866 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1095866 has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095866?
The CAS number of RefChem:1095866 is 74801-44-8.
What is the molecular formula of RefChem:1095866?
The molecular formula of RefChem:1095866 is C28H31ClN2O8S.
What is the molecular weight of RefChem:1095866?
The molecular weight of RefChem:1095866 is 590.15 g/mol.
Where can I buy RefChem:1095866?
You can request a quote for RefChem:1095866 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095866?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095866 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.