RefChem:1096032
TL;DR: RefChem:1096032 (CAS 56056-96-3) is a chemical compound with molecular formula C27H32N2O4S2 and molecular weight 512.18 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-[3-(2-methylpropylsulfanyl)benzo[b][1]benzothiepin-5-yl]piperazine
Also Known As: C23H28N2S2.C4H4O4.1/2H2O, 8-Isobutylthio-10-(4-methylpiperazino)dibenzo(b,f)thiepin maleate hemihydrate, C23-H28-N2-S2.C4-H4-O4.1/2H2-O, Piperazine, 1-methyl-4-(8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate, hydrate (2:2:1), 1-Methyl-4-(8-((2-methylpropyl)thio)dibenzo(b,f)thiepin-10-yl)piperazine maleate hemihydrate
| Molecular Formula | C27H32N2O4S2 |
|---|---|
| Molecular Weight | 512.18 g/mol |
| LogP | 5.3566 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 512.18036 |
| Heavy Atoms | 35 |
| Complexity | 1090.1101 |
Chemical Identifiers
| CAS Number | 56056-96-3 |
|---|---|
| SMILES | CC(C)CSC1=CC2=C(C=C1)SC3=CC=CC=C3C=C2N4CCN(CC4)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1096032 (CAS 56056-96-3), with molecular formula C27H32N2O4S2 and molecular weight 512.18 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-4-[3-(2-methylpropylsulfanyl)benzo[b][1]benzothiepin-5-yl]piperazine.
Chemical Property Profile of RefChem:1096032
Property Insights of RefChem:1096032
The XLogP value of 5.3566 indicates that RefChem:1096032 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:1096032. Following Lipinski's Rule of Five, RefChem:1096032 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1096032?
The CAS number of RefChem:1096032 is 56056-96-3.
What is the molecular formula of RefChem:1096032?
The molecular formula of RefChem:1096032 is C27H32N2O4S2.
What is the molecular weight of RefChem:1096032?
The molecular weight of RefChem:1096032 is 512.18 g/mol.
Where can I buy RefChem:1096032?
You can request a quote for RefChem:1096032 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1096032?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1096032 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.