Dehydroclothepin hydrogen maleate
TL;DR: Dehydroclothepin hydrogen maleate (CAS 22487-46-3) is a chemical compound with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine
Also Known As: Dehydroclothepin hydrogen maleate, 8-Chloro-10-(4-methylpiperazino)dibenzo(b,f)thiepin hydrogen maleate, Piperazine, 1-(8-chlorodibenzo(b,f)thiepin-10-yl)-4-methyl-, maleate (1:1), (E)-but-2-enedioic acid; 1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine, Piperazine, 1-(8-chlorodibenzo[b,f]thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)
| Molecular Formula | C23H23ClN2O4S |
|---|---|
| Molecular Weight | 458.11 g/mol |
| LogP | 4.2619 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 458.10672 |
| Heavy Atoms | 31 |
| Complexity | 1013.9866 |
Chemical Identifiers
| CAS Number | 22487-46-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Dehydroclothepin hydrogen maleate (CAS 22487-46-3), with molecular formula C23H23ClN2O4S and molecular weight 458.11 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chlorobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine.
Chemical Property Profile of Dehydroclothepin hydrogen maleate
Property Insights of Dehydroclothepin hydrogen maleate
The XLogP value of 4.2619 indicates that Dehydroclothepin hydrogen maleate 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 Dehydroclothepin hydrogen maleate. Following Lipinski's Rule of Five, Dehydroclothepin 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 Dehydroclothepin hydrogen maleate?
The CAS number of Dehydroclothepin hydrogen maleate is 22487-46-3.
What is the molecular formula of Dehydroclothepin hydrogen maleate?
The molecular formula of Dehydroclothepin hydrogen maleate is C23H23ClN2O4S.
What is the molecular weight of Dehydroclothepin hydrogen maleate?
The molecular weight of Dehydroclothepin hydrogen maleate is 458.11 g/mol.
Where can I buy Dehydroclothepin hydrogen maleate?
You can request a quote for Dehydroclothepin hydrogen maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroclothepin hydrogen maleate?
Yes, KEHONG BIO provides custom synthesis services for Dehydroclothepin hydrogen maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.