(+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide
TL;DR: (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide (CAS 119558-28-0) is a chemical compound with molecular formula C15H23NO5S and molecular weight 329.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-[1-[hydroxy(methyl)amino]ethyl]-4-(3-methoxyphenyl)-1,1-dioxothian-4-ol
Also Known As: (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide, Tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-2H-thiopyran-4-ol N,1,1-trioxide, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, N,1,1-trioxide,trans-(+-)-, (3R,4S)-3-[1-[hydroxy(methyl)amino]ethyl]-4-(3-methoxyphenyl)-1,1-dioxothian-4-ol, (3R,4S)-4-Hydroxy-3-{1-[hydroxy(methyl)amino]ethyl}-4-(3-methoxyphenyl)-1lambda~6~-thiane-1,1-dione
| Molecular Formula | C15H23NO5S |
|---|---|
| Molecular Weight | 329.13 g/mol |
| LogP | 1.027 |
| Topological Polar Surface Area | 87.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1297 |
| Heavy Atoms | 22 |
| Complexity | 630.5749 |
Chemical Identifiers
| CAS Number | 119558-28-0 |
|---|---|
| SMILES | CC([C@H]1CS(=O)(=O)CC[C@]1(C2=CC(=CC=C2)OC)O)N(C)O |
Product Overview
(+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide (CAS 119558-28-0), with molecular formula C15H23NO5S and molecular weight 329.13 g/mol. IUPAC: (3R,4S)-3-[1-[hydroxy(methyl)amino]ethyl]-4-(3-methoxyphenyl)-1,1-dioxothian-4-ol.
Chemical Property Profile of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide
Property Insights of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide
The XLogP value of 1.027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide. The TPSA of 87.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide. Following Lipinski's Rule of Five, (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide has 2 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 (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide?
The CAS number of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide is 119558-28-0.
What is the molecular formula of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide?
The molecular formula of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide is C15H23NO5S.
What is the molecular weight of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide?
The molecular weight of (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide is 329.13 g/mol.
Where can I buy (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide?
You can request a quote for (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide?
Yes, KEHONG BIO provides custom synthesis services for (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol N,S,S-trioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.