C15H20F3NOS.ClH.1/2H2O
TL;DR: C15H20F3NOS.ClH.1/2H2O (CAS 119558-35-9) is a chemical compound with molecular formula C15H21ClF3NOS and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-3-[(dimethylamino)methyl]-4-[3-(trifluoromethyl)phenyl]thian-4-ol;hydrochloride
Also Known As: C15H20F3NOS.ClH.1/2H2O, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-(trifluoromethyl)phenyl)-, hydrochloride, hemihydrate, trans-(+-)-, C15-H20-F3-N-O-S.Cl-H.1/2H2-O, (3R,4S)-3-(dimethylaminomethyl)-4-[3-(trifluoromethyl)phenyl]thian-4-ol hydrochloride, (3S,4S)-3-(dimethylaminomethyl)-4-[3-(trifluoromethyl)phenyl]thian-4-ol Hydrochloride
| Molecular Formula | C15H21ClF3NOS |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.6295 |
| Topological Polar Surface Area | 23.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 355.09845 |
| Heavy Atoms | 22 |
| Complexity | 497.92105 |
Chemical Identifiers
| CAS Number | 119558-35-9 |
|---|---|
| SMILES | CN(C)C[C@H]1CSCC[C@]1(C2=CC(=CC=C2)C(F)(F)F)O.Cl |
Product Overview
C15H20F3NOS.ClH.1/2H2O (CAS 119558-35-9), with molecular formula C15H21ClF3NOS and molecular weight 355.10 g/mol. IUPAC: (3R,4S)-3-[(dimethylamino)methyl]-4-[3-(trifluoromethyl)phenyl]thian-4-ol;hydrochloride.
Chemical Property Profile of C15H20F3NOS.ClH.1/2H2O
Property Insights of C15H20F3NOS.ClH.1/2H2O
The XLogP value of 3.6295 indicates that C15H20F3NOS.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.47 Ų, C15H20F3NOS.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H20F3NOS.ClH.1/2H2O 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 C15H20F3NOS.ClH.1/2H2O?
The CAS number of C15H20F3NOS.ClH.1/2H2O is 119558-35-9.
What is the molecular formula of C15H20F3NOS.ClH.1/2H2O?
The molecular formula of C15H20F3NOS.ClH.1/2H2O is C15H21ClF3NOS.
What is the molecular weight of C15H20F3NOS.ClH.1/2H2O?
The molecular weight of C15H20F3NOS.ClH.1/2H2O is 355.10 g/mol.
Where can I buy C15H20F3NOS.ClH.1/2H2O?
You can request a quote for C15H20F3NOS.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C15H20F3NOS.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H20F3NOS.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.