![4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one structure](/static/products/1164/1164559-21-0.webp)
4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one
TL;DR: 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one (CAS 1164559-21-0) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-3-(4-methylphenyl)sulfanylbut-3-en-2-one
Also Known As: 4-(dimethylamino)-3-[(4-methylphenyl)sulfanyl]-3-buten-2-one, 4-(DIMETHYLAMINO)-3-[(4-METHYLPHENYL)SULFANYL]BUT-3-EN-2-ONE, 4-(dimethylamino)-3-(4-methylphenyl)sulfanylbut-3-en-2-one
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 1164559-21-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC(=CN(C)C)C(=O)C |
| InChIKey | DSRNZLZIGPMMBK-UHFFFAOYSA-N |
Product Overview
4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one (CAS 1164559-21-0), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: 4-(dimethylamino)-3-(4-methylphenyl)sulfanylbut-3-en-2-one.
Chemical Property Profile of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one
Property Insights of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one
The XLogP value of 3.0 indicates that 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.6 Ų, 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one 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 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one?
The CAS number of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one is 1164559-21-0.
What is the molecular formula of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one?
The molecular formula of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one is C13H17NOS.
What is the molecular weight of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one?
The molecular weight of 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one is 235.10 g/mol.
Where can I buy 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one?
You can request a quote for 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-3-[(4-methylphenyl)sulfanyl]but-3-EN-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.