RefChem:1095752
TL;DR: RefChem:1095752 (CAS 56096-85-6) is a chemical compound with molecular formula C26H28N2O4S and molecular weight 464.18 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-(2-thiatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,17-heptaen-10-yl)piperazine
Also Known As: 11-(4-Methylpiperazino)-8,9-dihydro-7H-benz(b)indeno(5,6-f)thiepin maleate, Piperazine, 1-(2,3-dihydro-1H-benz(b)indeno(5,6-f)thiepin-11-yl)-4-methyl-, (Z)-2-butenedioate (1:1), 1-(2,3-Dihydro-1H-benz(b)indeno(5,6-f)thiepin-11-yl)-4-methylpiperazine maleate, RefChem:1095752
| Molecular Formula | C26H28N2O4S |
|---|---|
| Molecular Weight | 464.18 g/mol |
| LogP | 4.0972 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.17697 |
| Heavy Atoms | 33 |
| Complexity | 1101.2701 |
Chemical Identifiers
| CAS Number | 56096-85-6 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C5CCCC5=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095752 (CAS 56096-85-6), with molecular formula C26H28N2O4S and molecular weight 464.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(2-thiatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,9,12,17-heptaen-10-yl)piperazine.
Chemical Property Profile of RefChem:1095752
Property Insights of RefChem:1095752
The XLogP value of 4.0972 indicates that RefChem:1095752 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.08 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1095752. Following Lipinski's Rule of Five, RefChem:1095752 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1095752?
The CAS number of RefChem:1095752 is 56096-85-6.
What is the molecular formula of RefChem:1095752?
The molecular formula of RefChem:1095752 is C26H28N2O4S.
What is the molecular weight of RefChem:1095752?
The molecular weight of RefChem:1095752 is 464.18 g/mol.
Where can I buy RefChem:1095752?
You can request a quote for RefChem:1095752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1095752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1095752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.