RefChem:1095823
TL;DR: RefChem:1095823 (CAS 153804-52-5) is a chemical compound with molecular formula C28H36N2O6S and molecular weight 528.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine
Also Known As: 8-((3-(4-(2-Methoxyphenyl)piperazin-1-yl)-2-methylpropyl)oxy)thiochroman fumarate, Piperazine, 1-(3-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-2-methylpropyl)-4-(2-methoxyphenyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine, RefChem:1095823
| Molecular Formula | C28H36N2O6S |
|---|---|
| Molecular Weight | 528.23 g/mol |
| LogP | 4.2824 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 528.22943 |
| Heavy Atoms | 37 |
| Complexity | 1052.388 |
Chemical Identifiers
| CAS Number | 153804-52-5 |
|---|---|
| SMILES | CC(CN1CCN(CC1)C2=CC=CC=C2OC)COC3=CC=CC4=C3SCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095823 (CAS 153804-52-5), with molecular formula C28H36N2O6S and molecular weight 528.23 g/mol. IUPAC: (E)-but-2-enedioic acid;1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)-2-methylpropyl]-4-(2-methoxyphenyl)piperazine.
Chemical Property Profile of RefChem:1095823
Property Insights of RefChem:1095823
The XLogP value of 4.2824 indicates that RefChem:1095823 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095823. Following Lipinski's Rule of Five, RefChem:1095823 has 2 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:1095823?
The CAS number of RefChem:1095823 is 153804-52-5.
What is the molecular formula of RefChem:1095823?
The molecular formula of RefChem:1095823 is C28H36N2O6S.
What is the molecular weight of RefChem:1095823?
The molecular weight of RefChem:1095823 is 528.23 g/mol.
Where can I buy RefChem:1095823?
You can request a quote for RefChem:1095823 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095823?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095823 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.