Xanthiol
TL;DR: Xanthiol (CAS 14008-71-0) is a chemical compound with molecular formula C23H29ClN2OS and molecular weight 416.17 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
Also Known As: Xanthiol, Xanthiol [INN], xantiol, xanthiolum, 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
| Molecular Formula | C23H29ClN2OS |
|---|---|
| Molecular Weight | 416.17 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.1689 |
| Heavy Atoms | 28 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 14008-71-0 |
|---|---|
| SMILES | C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO |
| InChIKey | VQLAZPRVCPICCQ-UHFFFAOYSA-N |
Product Overview
Xanthiol (CAS 14008-71-0), with molecular formula C23H29ClN2OS and molecular weight 416.17 g/mol. IUPAC: 3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol.
Chemical Property Profile of Xanthiol
Property Insights of Xanthiol
The XLogP value of 4.6 indicates that Xanthiol 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 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xanthiol has 1 hydrogen bond donor(s) and 4 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 Xanthiol?
The CAS number of Xanthiol is 14008-71-0.
What is the molecular formula of Xanthiol?
The molecular formula of Xanthiol is C23H29ClN2OS.
What is the molecular weight of Xanthiol?
The molecular weight of Xanthiol is 416.17 g/mol.
Where can I buy Xanthiol?
You can request a quote for Xanthiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthiol?
Yes, KEHONG BIO provides custom synthesis services for Xanthiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.