1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride
TL;DR: 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride (CAS 69620-36-6) is a chemical compound with molecular formula C15H22ClNOS and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-(4-methylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride
Also Known As: 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride, 2-Methyl-1-(4-(methylthio)phenyl)-3-(1-pyrrolidinyl)-1-propanone hydrochloride, 1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-3-(1-pyrrolidinyl)-, hydrochloride, 2-methyl-1-(4-methylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-one hydrochloride, 2-Methyl-1-[4-(methylsulfanyl)phenyl]-3-(pyrrolidin-1-yl)propan-1-one--hydrogen chloride (1/1)
| Molecular Formula | C15H22ClNOS |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 3.7449 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 299.11105 |
| Heavy Atoms | 19 |
| Complexity | 401.11154 |
Chemical Identifiers
| CAS Number | 69620-36-6 |
|---|---|
| SMILES | CC(CN1CCCC1)C(=O)C2=CC=C(C=C2)SC.Cl |
Product Overview
1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride (CAS 69620-36-6), with molecular formula C15H22ClNOS and molecular weight 299.11 g/mol. IUPAC: 2-methyl-1-(4-methylsulfanylphenyl)-3-pyrrolidin-1-ylpropan-1-one;hydrochloride.
Chemical Property Profile of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride
Property Insights of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride
The XLogP value of 3.7449 indicates that 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride has 0 hydrogen bond donor(s) and 3 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 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride?
The CAS number of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride is 69620-36-6.
What is the molecular formula of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride?
The molecular formula of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride is C15H22ClNOS.
What is the molecular weight of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride?
The molecular weight of 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride is 299.11 g/mol.
Where can I buy 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride?
You can request a quote for 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Methylthio)phenyl)-3-pyrrolidino-2-methylpropanone-1 hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.