2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-
TL;DR: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- (CAS 119558-17-7) is a chemical compound with molecular formula C15H24ClNO2S and molecular weight 317.12 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-methoxyphenyl)thian-4-ol;hydrochloride
Also Known As: 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-, (+-)-trans-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexan-4-ol hydrochloride, (+-)-trans-Tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-2H-thiopyran-4-ol HCl, (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)thian-4-ol hydrochloride, 1,5-Anhydro-2,4-dideoxy-2-[(dimethylamino)methyl]-3-C-(3-methoxyphenyl)-1-thio-L-threo-pentitol--hydrogen chloride (1/1)
| Molecular Formula | C15H24ClNO2S |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.6193 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.12164 |
| Heavy Atoms | 20 |
| Complexity | 430.08948 |
Chemical Identifiers
| CAS Number | 119558-17-7 |
|---|---|
| SMILES | CN(C)C[C@H]1CSCC[C@]1(C2=CC(=CC=C2)OC)O.Cl |
Product Overview
2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- (CAS 119558-17-7), with molecular formula C15H24ClNO2S and molecular weight 317.12 g/mol. IUPAC: (3R,4S)-3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)thian-4-ol;hydrochloride.
Chemical Property Profile of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-
Property Insights of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-
The XLogP value of 2.6193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-. With a topological polar surface area (TPSA) of 32.7 Ų, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- has 1 hydrogen bond donor(s) and 4 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-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-?
The CAS number of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- is 119558-17-7.
What is the molecular formula of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-?
The molecular formula of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- is C15H24ClNO2S.
What is the molecular weight of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-?
The molecular weight of 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- is 317.12 g/mol.
Where can I buy 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-?
You can request a quote for 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, 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-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)-?
Yes, KEHONG BIO provides custom synthesis services for 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, hydrochloride, trans-(+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.