Xenthiorate
TL;DR: Xenthiorate (CAS 7009-79-2) is a chemical compound with molecular formula C22H29NOS and molecular weight 355.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-[2-(diethylamino)ethyl] 2-(4-phenylphenyl)butanethioate
Also Known As: Xenthiorate, Xenthioratum, Xenthiorato, xentiorato, Xenthiorate [INN]
| Molecular Formula | C22H29NOS |
|---|---|
| Molecular Weight | 355.20 g/mol |
| LogP | 5.4488 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 355.197 |
| Heavy Atoms | 25 |
| Complexity | 634.8366 |
Chemical Identifiers
| CAS Number | 7009-79-2 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C2=CC=CC=C2)C(=O)SCCN(CC)CC |
Product Overview
Xenthiorate (CAS 7009-79-2), with molecular formula C22H29NOS and molecular weight 355.20 g/mol. IUPAC: S-[2-(diethylamino)ethyl] 2-(4-phenylphenyl)butanethioate.
Chemical Property Profile of Xenthiorate
Property Insights of Xenthiorate
The XLogP value of 5.4488 indicates that Xenthiorate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Xenthiorate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xenthiorate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Xenthiorate?
The CAS number of Xenthiorate is 7009-79-2.
What is the molecular formula of Xenthiorate?
The molecular formula of Xenthiorate is C22H29NOS.
What is the molecular weight of Xenthiorate?
The molecular weight of Xenthiorate is 355.20 g/mol.
Where can I buy Xenthiorate?
You can request a quote for Xenthiorate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xenthiorate?
Yes, KEHONG BIO provides custom synthesis services for Xenthiorate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.