Xanthiol hydrochloride
TL;DR: Xanthiol hydrochloride (CAS 17162-32-2) is a chemical compound with molecular formula C23H31Cl3N2OS and molecular weight 488.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol;dihydrochloride
Also Known As: Daxid, Xanthiol HCl, XANTHIOL HYDROCHLORIDE, 2-Chloro-9-(3-(4-(3-hydroxypropyl)piperazinyl)propyl)thioxanthene dihydrochloride, 4-(3-(2-Chlorothioxanthen-9-yl)propyl)-1-piperazinepropanol dihydrochloride
| Molecular Formula | C23H31Cl3N2OS |
|---|---|
| Molecular Weight | 488.12 g/mol |
| LogP | 5.56 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 488.12225 |
| Heavy Atoms | 30 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 17162-32-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO.Cl.Cl |
| InChIKey | WCSMSWYAHBNGDC-UHFFFAOYSA-N |
Product Overview
Xanthiol hydrochloride (CAS 17162-32-2), with molecular formula C23H31Cl3N2OS and molecular weight 488.12 g/mol. IUPAC: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol;dihydrochloride.
Chemical Property Profile of Xanthiol hydrochloride
Property Insights of Xanthiol hydrochloride
The XLogP value of 5.56 indicates that Xanthiol hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, Xanthiol hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthiol hydrochloride has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xanthiol hydrochloride?
The CAS number of Xanthiol hydrochloride is 17162-32-2.
What is the molecular formula of Xanthiol hydrochloride?
The molecular formula of Xanthiol hydrochloride is C23H31Cl3N2OS.
What is the molecular weight of Xanthiol hydrochloride?
The molecular weight of Xanthiol hydrochloride is 488.12 g/mol.
Where can I buy Xanthiol hydrochloride?
You can request a quote for Xanthiol hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthiol hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Xanthiol hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.