4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride
TL;DR: 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride (CAS 119585-10-3) is a chemical compound with molecular formula C24H28ClNO2S and molecular weight 429.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(dimethylamino)-2-naphthalen-1-ylbutyl] 2-phenylsulfanylacetate;hydrochloride
Also Known As: 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride, Acetic acid, (phenylthio)-, 4-(dimethylamino)-2-(1-naphthalenyl)butyl ester, hydrochloride, 4-(Dimethylamino)-2-(naphthalen-1-yl)butyl (phenylsulfanyl)acetate--hydrogen chloride (1/1), [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 2-phenylsulfanylacetate hydrochloride, RefChem:1070096
| Molecular Formula | C24H28ClNO2S |
|---|---|
| Molecular Weight | 429.15 g/mol |
| LogP | 5.6324 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 429.15292 |
| Heavy Atoms | 29 |
| Complexity | 896.28595 |
Chemical Identifiers
| CAS Number | 119585-10-3 |
|---|---|
| SMILES | CN(C)CCC(COC(=O)CSC1=CC=CC=C1)C2=CC=CC3=CC=CC=C32.Cl |
Product Overview
4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride (CAS 119585-10-3), with molecular formula C24H28ClNO2S and molecular weight 429.15 g/mol. IUPAC: [4-(dimethylamino)-2-naphthalen-1-ylbutyl] 2-phenylsulfanylacetate;hydrochloride.
Chemical Property Profile of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride
Property Insights of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride
The XLogP value of 5.6324 indicates that 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride?
The CAS number of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride is 119585-10-3.
What is the molecular formula of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride?
The molecular formula of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride is C24H28ClNO2S.
What is the molecular weight of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride?
The molecular weight of 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride is 429.15 g/mol.
Where can I buy 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride?
You can request a quote for 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-2-(1-naphthalenyl)butyl (phenylthio)acetate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.