4-Piperidone, 1,3-dimethyl-, hydrochloride
TL;DR: 4-Piperidone, 1,3-dimethyl-, hydrochloride (CAS 4629-76-9) is a chemical compound with molecular formula C24H18Cl2N2O3S and molecular weight 484.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: 4-Piperidone, 1,3-dimethyl-, hydrochloride, 4-Piperidinone, 1,3-dimethyl-, hydrochloride, Prop-2-en-1-yl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, prop-2-enyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C24H18Cl2N2O3S |
|---|---|
| Molecular Weight | 484.04 g/mol |
| LogP | 4.2712 |
| Topological Polar Surface Area | 60.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 484.0415 |
| Heavy Atoms | 32 |
| Complexity | 1421.6564 |
Chemical Identifiers
| CAS Number | 4629-76-9 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)C(=CC3=CC(=C(C=C3)Cl)Cl)SC2=N1)C4=CC=CC=C4)C(=O)OCC=C |
Product Overview
4-Piperidone, 1,3-dimethyl-, hydrochloride (CAS 4629-76-9), with molecular formula C24H18Cl2N2O3S and molecular weight 484.04 g/mol. IUPAC: prop-2-enyl 2-[(3,4-dichlorophenyl)methylidene]-7-methyl-3-oxo-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of 4-Piperidone, 1,3-dimethyl-, hydrochloride
Property Insights of 4-Piperidone, 1,3-dimethyl-, hydrochloride
The XLogP value of 4.2712 indicates that 4-Piperidone, 1,3-dimethyl-, hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Piperidone, 1,3-dimethyl-, hydrochloride. Following Lipinski's Rule of Five, 4-Piperidone, 1,3-dimethyl-, hydrochloride has 0 hydrogen bond donor(s) and 5 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-Piperidone, 1,3-dimethyl-, hydrochloride?
The CAS number of 4-Piperidone, 1,3-dimethyl-, hydrochloride is 4629-76-9.
What is the molecular formula of 4-Piperidone, 1,3-dimethyl-, hydrochloride?
The molecular formula of 4-Piperidone, 1,3-dimethyl-, hydrochloride is C24H18Cl2N2O3S.
What is the molecular weight of 4-Piperidone, 1,3-dimethyl-, hydrochloride?
The molecular weight of 4-Piperidone, 1,3-dimethyl-, hydrochloride is 484.04 g/mol.
Where can I buy 4-Piperidone, 1,3-dimethyl-, hydrochloride?
You can request a quote for 4-Piperidone, 1,3-dimethyl-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Piperidone, 1,3-dimethyl-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-Piperidone, 1,3-dimethyl-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.