cis-Dithiadene hydrogen maleate
TL;DR: cis-Dithiadene hydrogen maleate (CAS 55407-74-4) is a chemical compound with molecular formula C21H23NO4S2 and molecular weight 417.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;(3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine
Also Known As: cis-Dithiadene hydrogen maleate, cis-4-(3-Dimethylaminopropylidene)-9H-thieno(2,3-b)benzo(e)thiepin hydrogen maleate, 1-Propanamine, N,N-dimethyl-3-thieno(2,3-c)(2)benzothiepin-4(9H)-ylidene, (Z)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; (3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine, RefChem:1056865
| Molecular Formula | C21H23NO4S2 |
|---|---|
| Molecular Weight | 417.11 g/mol |
| LogP | 4.449 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.10684 |
| Heavy Atoms | 28 |
| Complexity | 868.03564 |
Chemical Identifiers
| CAS Number | 55407-74-4 |
|---|---|
| SMILES | CN(C)CC/C=C/1\C2=C(SCC3=CC=CC=C31)SC=C2.C(=C/C(=O)O)\C(=O)O |
Product Overview
cis-Dithiadene hydrogen maleate (CAS 55407-74-4), with molecular formula C21H23NO4S2 and molecular weight 417.11 g/mol. IUPAC: (E)-but-2-enedioic acid;(3Z)-N,N-dimethyl-3-(5H-thieno[2,3-c][2]benzothiepin-10-ylidene)propan-1-amine.
Chemical Property Profile of cis-Dithiadene hydrogen maleate
Property Insights of cis-Dithiadene hydrogen maleate
The XLogP value of 4.449 indicates that cis-Dithiadene hydrogen maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for cis-Dithiadene hydrogen maleate. Following Lipinski's Rule of Five, cis-Dithiadene hydrogen maleate 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 cis-Dithiadene hydrogen maleate?
The CAS number of cis-Dithiadene hydrogen maleate is 55407-74-4.
What is the molecular formula of cis-Dithiadene hydrogen maleate?
The molecular formula of cis-Dithiadene hydrogen maleate is C21H23NO4S2.
What is the molecular weight of cis-Dithiadene hydrogen maleate?
The molecular weight of cis-Dithiadene hydrogen maleate is 417.11 g/mol.
Where can I buy cis-Dithiadene hydrogen maleate?
You can request a quote for cis-Dithiadene hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-Dithiadene hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for cis-Dithiadene hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.