RefChem:1096018
TL;DR: RefChem:1096018 (CAS 56096-87-8) is a chemical compound with molecular formula C26H30N2O4S and molecular weight 466.19 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),3,5,7,12,17-hexaen-10-yl)piperazine
Also Known As: 11-(4-Methylpiperazino)-8,9,11,12-tetrahydro-7H-benz(b)indeno(5,6-f)thiepin maleate, Piperazine, 1-methyl-4-(2,3,10,11-tetrahydro-1H-benz(b)indeno(5,6-f)thiepin-11-yl)-, (Z)-2-butenedioate (1:1), RefChem:1096018
| Molecular Formula | C26H30N2O4S |
|---|---|
| Molecular Weight | 466.19 g/mol |
| LogP | 3.8829 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 466.19263 |
| Heavy Atoms | 33 |
| Complexity | 1044.2526 |
Chemical Identifiers
| CAS Number | 56096-87-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C5CCCC5=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096018 (CAS 56096-87-8), with molecular formula C26H30N2O4S and molecular weight 466.19 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-(2-thiatetracyclo[9.7.0.03,8.013,17]octadeca-1(11),3,5,7,12,17-hexaen-10-yl)piperazine.
Chemical Property Profile of RefChem:1096018
Property Insights of RefChem:1096018
The XLogP value of 3.8829 indicates that RefChem:1096018 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:1096018. Following Lipinski's Rule of Five, RefChem:1096018 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:1096018?
The CAS number of RefChem:1096018 is 56096-87-8.
What is the molecular formula of RefChem:1096018?
The molecular formula of RefChem:1096018 is C26H30N2O4S.
What is the molecular weight of RefChem:1096018?
The molecular weight of RefChem:1096018 is 466.19 g/mol.
Where can I buy RefChem:1096018?
You can request a quote for RefChem:1096018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.