RefChem:1096020
TL;DR: RefChem:1096020 (CAS 41932-78-9) is a chemical compound with molecular formula C30H36N2O8S and molecular weight 584.22 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-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine
Also Known As: 4-Phenyl-5-(4-methylpiperazino)-7-methyl-2,3,4,5-tetrahydro-1-benzothiepin dimaleate hydrate, Piperazine, 1-methyl-4-(2,3,4,5-tetrahydro-7-methyl-4-phenyl-1-benzothiepin-5-yl)-, (Z)-2-butenedioate, hydrate (1:2:1), (E)-but-2-enedioic acid; 1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine, RefChem:1096020
| Molecular Formula | C30H36N2O8S |
|---|---|
| Molecular Weight | 584.22 g/mol |
| LogP | 3.98672 |
| Topological Polar Surface Area | 155.68 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 584.21924 |
| Heavy Atoms | 41 |
| Complexity | 1174.3073 |
Chemical Identifiers
| CAS Number | 41932-78-9 |
|---|---|
| SMILES | CC1=CC2=C(SCCC(C2N3CCN(CC3)C)C4=CC=CC=C4)C=C1.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096020 (CAS 41932-78-9), with molecular formula C30H36N2O8S and molecular weight 584.22 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-methyl-4-(7-methyl-4-phenyl-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1096020
Property Insights of RefChem:1096020
The XLogP value of 3.98672 indicates that RefChem:1096020 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.68 Ų indicates high polarity, suggesting RefChem:1096020 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1096020 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:1096020?
The CAS number of RefChem:1096020 is 41932-78-9.
What is the molecular formula of RefChem:1096020?
The molecular formula of RefChem:1096020 is C30H36N2O8S.
What is the molecular weight of RefChem:1096020?
The molecular weight of RefChem:1096020 is 584.22 g/mol.
Where can I buy RefChem:1096020?
You can request a quote for RefChem:1096020 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096020?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096020 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.