RefChem:295924
TL;DR: RefChem:295924 (CAS 81735-50-4) is a chemical compound with molecular formula C17H23ClN2OS and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-methylpiperidin-4-one;hydrochloride
Also Known As: 2-(4'-Oxo-3'-methylpiperidino)methyl-4,4-dimethyl-4H-1,3-benzothiazine hydrochloride, 1-((4,4-Dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-3-methyl-4-piperidone hydrochloride, 4-Piperidone, 1-((4,4-dimethyl-4H-1,3-benzothiazin-2-yl)methyl)-3-methyl-, hydrochloride, 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-methylpiperidin-4-one hydrochloride, 1-[(4,4-Dimethyl-4H-1,3-benzothiazin-2-yl)methyl]-3-methylpiperidin-4-one--hydrogen chloride (1/1)
| Molecular Formula | C17H23ClN2OS |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.7586 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.12195 |
| Heavy Atoms | 22 |
| Complexity | 600.07666 |
Chemical Identifiers
| CAS Number | 81735-50-4 |
|---|---|
| SMILES | CC1CN(CCC1=O)CC2=NC(C3=CC=CC=C3S2)(C)C.Cl |
Product Overview
RefChem:295924 (CAS 81735-50-4), with molecular formula C17H23ClN2OS and molecular weight 338.12 g/mol. IUPAC: 1-[(4,4-dimethyl-1,3-benzothiazin-2-yl)methyl]-3-methylpiperidin-4-one;hydrochloride.
Chemical Property Profile of RefChem:295924
Property Insights of RefChem:295924
The XLogP value of 3.7586 indicates that RefChem:295924 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, RefChem:295924 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:295924 has 0 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 RefChem:295924?
The CAS number of RefChem:295924 is 81735-50-4.
What is the molecular formula of RefChem:295924?
The molecular formula of RefChem:295924 is C17H23ClN2OS.
What is the molecular weight of RefChem:295924?
The molecular weight of RefChem:295924 is 338.12 g/mol.
Where can I buy RefChem:295924?
You can request a quote for RefChem:295924 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:295924?
Yes, KEHONG BIO provides custom synthesis services for RefChem:295924 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.