Octoclothepin 5,5-dioxide maleate
TL;DR: Octoclothepin 5,5-dioxide maleate (CAS 41932-12-1) is a chemical compound with molecular formula C23H25ClN2O6S and molecular weight 492.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide
Also Known As: Octoclothepin 5,5-dioxide maleate, 8-Chloro-10-(4-methylpiperazino)-10,11-dihydrodibenzo(b,f)thiepin 5,5-dioxide maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-methyl-, S,S-dioxide, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide, RefChem:1093825
| Molecular Formula | C23H25ClN2O6S |
|---|---|
| Molecular Weight | 492.11 g/mol |
| LogP | 2.7292 |
| Topological Polar Surface Area | 115.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 492.11218 |
| Heavy Atoms | 33 |
| Complexity | 1157.2241 |
Chemical Identifiers
| CAS Number | 41932-12-1 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3S(=O)(=O)C4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Octoclothepin 5,5-dioxide maleate (CAS 41932-12-1), with molecular formula C23H25ClN2O6S and molecular weight 492.11 g/mol. IUPAC: (E)-but-2-enedioic acid;3-chloro-5-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine 11,11-dioxide.
Chemical Property Profile of Octoclothepin 5,5-dioxide maleate
Property Insights of Octoclothepin 5,5-dioxide maleate
The XLogP value of 2.7292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Octoclothepin 5,5-dioxide maleate. The TPSA of 115.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Octoclothepin 5,5-dioxide maleate. Following Lipinski's Rule of Five, Octoclothepin 5,5-dioxide maleate has 2 hydrogen bond donor(s) and 6 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 Octoclothepin 5,5-dioxide maleate?
The CAS number of Octoclothepin 5,5-dioxide maleate is 41932-12-1.
What is the molecular formula of Octoclothepin 5,5-dioxide maleate?
The molecular formula of Octoclothepin 5,5-dioxide maleate is C23H25ClN2O6S.
What is the molecular weight of Octoclothepin 5,5-dioxide maleate?
The molecular weight of Octoclothepin 5,5-dioxide maleate is 492.11 g/mol.
Where can I buy Octoclothepin 5,5-dioxide maleate?
You can request a quote for Octoclothepin 5,5-dioxide maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octoclothepin 5,5-dioxide maleate?
Yes, KEHONG BIO provides custom synthesis services for Octoclothepin 5,5-dioxide maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.