(+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride
TL;DR: (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride (CAS 119558-27-9) is a chemical compound with molecular formula C15H24ClNO3S and molecular weight 333.12 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)-1-oxothian-4-ol;hydrochloride
Also Known As: (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, 1-oxide, hydrochloride, (3-alpha,4-beta)- (+-)-, (3R,4S)-3-(dimethylaminomethyl)-4-(3-methoxyphenyl)-1-oxothian-4-ol hydrochloride, (3R,4S)-3-[(Dimethylamino)methyl]-4-hydroxy-4-(3-methoxyphenyl)-1lambda~4~-thian-1-one--hydrogen chloride (1/1), 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(3-methoxyphenyl)-, 1-oxide, hydrochloride, (3-alpha,4-beta)-(+-)-
| Molecular Formula | C15H24ClNO3S |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 1.6348 |
| Topological Polar Surface Area | 49.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.11655 |
| Heavy Atoms | 21 |
| Complexity | 497.562 |
Chemical Identifiers
| CAS Number | 119558-27-9 |
|---|---|
| SMILES | CN(C)C[C@H]1CS(=O)CC[C@]1(C2=CC(=CC=C2)OC)O.Cl |
Product Overview
(+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride (CAS 119558-27-9), with molecular formula C15H24ClNO3S and molecular weight 333.12 g/mol. IUPAC: (3R,4S)-3-[(dimethylamino)methyl]-4-(3-methoxyphenyl)-1-oxothian-4-ol;hydrochloride.
Chemical Property Profile of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride
Property Insights of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride
The XLogP value of 1.6348 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride. With a topological polar surface area (TPSA) of 49.77 Ų, (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride 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 (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride?
The CAS number of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride is 119558-27-9.
What is the molecular formula of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride?
The molecular formula of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride is C15H24ClNO3S.
What is the molecular weight of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride?
The molecular weight of (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride is 333.12 g/mol.
Where can I buy (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride?
You can request a quote for (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (+-)-4-(3-Methoxyphenyl)-3-(dimethylaminomethyl)thiacyclohexen-4-ol S-oxide hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.