2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
TL;DR: 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- (CAS 119558-38-2) is a chemical compound with molecular formula C16H20ClF6NOS and molecular weight 423.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-3-[(dimethylamino)methyl]thian-4-ol;hydrochloride
Also Known As: 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-, (3R,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-3-(dimethylaminomethyl)thian-4-ol hydrochloride, (3S,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-3-(dimethylaminomethyl)thian-4-ol Hydrochloride, 1,5-Anhydro-3-C-[3,5-bis(trifluoromethyl)phenyl]-2,4-dideoxy-2-[(dimethylamino)methyl]-1-thio-L-threo-pentitol--hydrogen chloride (1/1), RefChem:269298
| Molecular Formula | C16H20ClF6NOS |
|---|---|
| Molecular Weight | 423.09 g/mol |
| LogP | 4.6483 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 423.08585 |
| Heavy Atoms | 26 |
| Complexity | 589.48804 |
Chemical Identifiers
| CAS Number | 119558-38-2 |
|---|---|
| SMILES | CN(C)C[C@H]1CSCC[C@]1(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)O.Cl |
Product Overview
2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- (CAS 119558-38-2), with molecular formula C16H20ClF6NOS and molecular weight 423.09 g/mol. IUPAC: (3R,4S)-4-[3,5-bis(trifluoromethyl)phenyl]-3-[(dimethylamino)methyl]thian-4-ol;hydrochloride.
Chemical Property Profile of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
Property Insights of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-
The XLogP value of 4.6483 indicates that 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- 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 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-?
The CAS number of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- is 119558-38-2.
What is the molecular formula of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-?
The molecular formula of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- is C16H20ClF6NOS.
What is the molecular weight of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-?
The molecular weight of 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- is 423.09 g/mol.
Where can I buy 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-?
You can request a quote for 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran-4-ol, tetrahydro-4-(3,5-bis(trifluoromethyl)phenyl)-3-((dimethylamino)methyl)-, hydrochloride, trans-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.