RefChem:1096033
TL;DR: RefChem:1096033 (CAS 40400-11-1) is a chemical compound with molecular formula C24H26N2O4SSe and molecular weight 518.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-4-(3-methylselanylbenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: 8-Methylseleno-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate, Piperazine, 1-methyl-4-(8-(methylseleno)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), 1-Methyl-4-(8-(methylseleno)dibenzo(b,f)thiepin-10-yl)piperazine maleate, (E)-but-2-enedioic acid; 1-methyl-4-(3-methylselanylbenzo[b][1]benzothiepin-5-yl)piperazine, Piperazine, 1-methyl-4-[8-(methylseleno)dibenzo[b,f]thiepin-10-yl]-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C24H26N2O4SSe |
|---|---|
| Molecular Weight | 518.08 g/mol |
| LogP | 2.9861 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.0778 |
| Heavy Atoms | 32 |
| Complexity | 1030.0448 |
Chemical Identifiers
| CAS Number | 40400-11-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)[Se]C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096033 (CAS 40400-11-1), with molecular formula C24H26N2O4SSe and molecular weight 518.08 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(3-methylselanylbenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of RefChem:1096033
Property Insights of RefChem:1096033
The XLogP value of 2.9861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1096033. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1096033. Following Lipinski's Rule of Five, RefChem:1096033 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096033?
The CAS number of RefChem:1096033 is 40400-11-1.
What is the molecular formula of RefChem:1096033?
The molecular formula of RefChem:1096033 is C24H26N2O4SSe.
What is the molecular weight of RefChem:1096033?
The molecular weight of RefChem:1096033 is 518.08 g/mol.
Where can I buy RefChem:1096033?
You can request a quote for RefChem:1096033 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096033?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096033 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.