C15H23NO2S.ClH.1/2H2O
TL;DR: C15H23NO2S.ClH.1/2H2O (CAS 119558-30-4) 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-(2-methoxyphenyl)thian-4-ol;hydrochloride
Also Known As: C15H23NO2S.ClH.1/2H2O, C15-H23-N-O2-S.Cl-H.1/2H2-O, 2H-Thiopyran-4-ol, tetrahydro-3-((dimethylamino)methyl)-4-(2-methoxyphenyl)-, hydrochloride, hemihydrate, trans-(+-)-, (3R,4S)-3-(dimethylaminomethyl)-4-(2-methoxyphenyl)thian-4-ol hydrochloride, (3S,4S)-3-(dimethylaminomethyl)-4-(2-methoxyphenyl)thian-4-ol Hydrochloride
| 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 | 119558-30-4 |
|---|---|
| SMILES | CN(C)C[C@H]1CSCC[C@]1(C2=CC=CC=C2OC)O.Cl |
Product Overview
C15H23NO2S.ClH.1/2H2O (CAS 119558-30-4), with molecular formula C15H24ClNO2S and molecular weight 317.12 g/mol. IUPAC: (3R,4S)-3-[(dimethylamino)methyl]-4-(2-methoxyphenyl)thian-4-ol;hydrochloride.
Chemical Property Profile of C15H23NO2S.ClH.1/2H2O
Property Insights of C15H23NO2S.ClH.1/2H2O
The XLogP value of 2.6193 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C15H23NO2S.ClH.1/2H2O. With a topological polar surface area (TPSA) of 32.7 Ų, C15H23NO2S.ClH.1/2H2O exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C15H23NO2S.ClH.1/2H2O 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 C15H23NO2S.ClH.1/2H2O?
The CAS number of C15H23NO2S.ClH.1/2H2O is 119558-30-4.
What is the molecular formula of C15H23NO2S.ClH.1/2H2O?
The molecular formula of C15H23NO2S.ClH.1/2H2O is C15H24ClNO2S.
What is the molecular weight of C15H23NO2S.ClH.1/2H2O?
The molecular weight of C15H23NO2S.ClH.1/2H2O is 317.12 g/mol.
Where can I buy C15H23NO2S.ClH.1/2H2O?
You can request a quote for C15H23NO2S.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 C15H23NO2S.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C15H23NO2S.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.