RefChem:1095865
TL;DR: RefChem:1095865 (CAS 153804-46-7) is a chemical compound with molecular formula C28H34N2O7S and molecular weight 542.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;4-(3,4-dihydro-2H-thiochromen-8-yloxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one
Also Known As: 8-((4-Oxo-4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)oxy)thiochroman fumarate, Piperazine, 1-(4-((3,4-dihydro-2H-1-benzothiopyran-8-yl)oxy)-1-oxobutyl)-4-(2-methoxyphenyl)-,(E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 4-(3,4-dihydro-2H-thiochromen-8-yloxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one, RefChem:1095865
| Molecular Formula | C28H34N2O7S |
|---|---|
| Molecular Weight | 542.21 g/mol |
| LogP | 3.9531 |
| Topological Polar Surface Area | 116.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.2087 |
| Heavy Atoms | 38 |
| Complexity | 1113.9353 |
Chemical Identifiers
| CAS Number | 153804-46-7 |
|---|---|
| SMILES | COC1=CC=CC=C1N2CCN(CC2)C(=O)CCCOC3=CC=CC4=C3SCCC4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095865 (CAS 153804-46-7), with molecular formula C28H34N2O7S and molecular weight 542.21 g/mol. IUPAC: (E)-but-2-enedioic acid;4-(3,4-dihydro-2H-thiochromen-8-yloxy)-1-[4-(2-methoxyphenyl)piperazin-1-yl]butan-1-one.
Chemical Property Profile of RefChem:1095865
Property Insights of RefChem:1095865
The XLogP value of 3.9531 indicates that RefChem:1095865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.61 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095865. Following Lipinski's Rule of Five, RefChem:1095865 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:1095865?
The CAS number of RefChem:1095865 is 153804-46-7.
What is the molecular formula of RefChem:1095865?
The molecular formula of RefChem:1095865 is C28H34N2O7S.
What is the molecular weight of RefChem:1095865?
The molecular weight of RefChem:1095865 is 542.21 g/mol.
Where can I buy RefChem:1095865?
You can request a quote for RefChem:1095865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095865?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.