Thionisoxetine
TL;DR: Thionisoxetine (CAS 155273-01-1) is a chemical compound with molecular formula C17H21NOS and molecular weight 287.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine
Also Known As: Thionisoxetine, (S)-thionisoxetine, (R)-Thionisoxetine, THIOTOMOXETINE, C17H21N OS
| Molecular Formula | C17H21NOS |
|---|---|
| Molecular Weight | 287.13 g/mol |
| LogP | 4.1381 |
| Topological Polar Surface Area | 21.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.1344 |
| Heavy Atoms | 20 |
| Complexity | 515.40826 |
Chemical Identifiers
| CAS Number | 155273-01-1 |
|---|---|
| SMILES | CNCCC(C1=CC=CC=C1)OC2=CC=CC=C2SC |
Product Overview
Thionisoxetine (CAS 155273-01-1), with molecular formula C17H21NOS and molecular weight 287.13 g/mol. IUPAC: N-methyl-3-(2-methylsulfanylphenoxy)-3-phenylpropan-1-amine.
Chemical Property Profile of Thionisoxetine
Property Insights of Thionisoxetine
The XLogP value of 4.1381 indicates that Thionisoxetine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.26 Ų, Thionisoxetine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thionisoxetine has 1 hydrogen bond donor(s) and 3 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 Thionisoxetine?
The CAS number of Thionisoxetine is 155273-01-1.
What is the molecular formula of Thionisoxetine?
The molecular formula of Thionisoxetine is C17H21NOS.
What is the molecular weight of Thionisoxetine?
The molecular weight of Thionisoxetine is 287.13 g/mol.
Where can I buy Thionisoxetine?
You can request a quote for Thionisoxetine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thionisoxetine?
Yes, KEHONG BIO provides custom synthesis services for Thionisoxetine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.