Clorotepine mesylate
TL;DR: Clorotepine mesylate (CAS 42505-79-3) is a chemical compound with molecular formula C20H25ClN2O3S2 and molecular weight 440.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid
Also Known As: Clorotepine mesylate, Clorotepin methanesulfonate, isobutylhydrazine hydrate, Octoclothepine methanesulfonate, 1-4-methylpiperaziniummethanesulphonate
| Molecular Formula | C20H25ClN2O3S2 |
|---|---|
| Molecular Weight | 440.10 g/mol |
| LogP | 3.8398 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 440.09952 |
| Heavy Atoms | 28 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 42505-79-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O |
| InChIKey | XQRUOHZMMIUQSB-UHFFFAOYSA-N |
Product Overview
Clorotepine mesylate (CAS 42505-79-3), with molecular formula C20H25ClN2O3S2 and molecular weight 440.10 g/mol. IUPAC: 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-methylpiperazine;methanesulfonic acid.
Chemical Property Profile of Clorotepine mesylate
Property Insights of Clorotepine mesylate
The XLogP value of 3.8398 indicates that Clorotepine mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Clorotepine mesylate. Following Lipinski's Rule of Five, Clorotepine mesylate has 1 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 Clorotepine mesylate?
The CAS number of Clorotepine mesylate is 42505-79-3.
What is the molecular formula of Clorotepine mesylate?
The molecular formula of Clorotepine mesylate is C20H25ClN2O3S2.
What is the molecular weight of Clorotepine mesylate?
The molecular weight of Clorotepine mesylate is 440.10 g/mol.
Where can I buy Clorotepine mesylate?
You can request a quote for Clorotepine mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clorotepine mesylate?
Yes, KEHONG BIO provides custom synthesis services for Clorotepine mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.