Noroctoclothepin maleate
TL;DR: Noroctoclothepin maleate (CAS 34773-35-8) is a chemical compound with molecular formula C22H23ClN2O4S and molecular weight 446.11 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-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
Also Known As: Noroctoclothepin maleate, 8-Chloro-10-piperazino-10,11-dihydrodibenzo(b,f)thiepin maleate, 1-(8-Chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)piperazine maleate, Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-, (Z)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine
| Molecular Formula | C22H23ClN2O4S |
|---|---|
| Molecular Weight | 446.11 g/mol |
| LogP | 3.7054 |
| Topological Polar Surface Area | 89.87 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 446.10672 |
| Heavy Atoms | 30 |
| Complexity | 928.4848 |
Chemical Identifiers
| CAS Number | 34773-35-8 |
|---|---|
| SMILES | C1CN(CCN1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
Noroctoclothepin maleate (CAS 34773-35-8), with molecular formula C22H23ClN2O4S and molecular weight 446.11 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine.
Chemical Property Profile of Noroctoclothepin maleate
Property Insights of Noroctoclothepin maleate
The XLogP value of 3.7054 indicates that Noroctoclothepin maleate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Noroctoclothepin maleate. Following Lipinski's Rule of Five, Noroctoclothepin maleate has 3 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 Noroctoclothepin maleate?
The CAS number of Noroctoclothepin maleate is 34773-35-8.
What is the molecular formula of Noroctoclothepin maleate?
The molecular formula of Noroctoclothepin maleate is C22H23ClN2O4S.
What is the molecular weight of Noroctoclothepin maleate?
The molecular weight of Noroctoclothepin maleate is 446.11 g/mol.
Where can I buy Noroctoclothepin maleate?
You can request a quote for Noroctoclothepin maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Noroctoclothepin maleate?
Yes, KEHONG BIO provides custom synthesis services for Noroctoclothepin maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.