4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one
TL;DR: 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one (CAS 338975-30-7) is a chemical compound with molecular formula C18H19NOS2 and molecular weight 329.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(dimethylamino)-1,3-bis(phenylsulfanyl)but-3-en-2-one
Also Known As: 4-(dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one, 4-(dimethylamino)-1,3-bis(phenylsulfanyl)but-3-en-2-one, 4-dimethylamino-1,3-bis(phenylsulfanyl)but-3-en-2-one
| Molecular Formula | C18H19NOS2 |
|---|---|
| Molecular Weight | 329.09 g/mol |
| LogP | 4.5431 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 329.09082 |
| Heavy Atoms | 22 |
| Complexity | 624.0501 |
Chemical Identifiers
| CAS Number | 338975-30-7 |
|---|---|
| SMILES | CN(C)C=C(C(=O)CSC1=CC=CC=C1)SC2=CC=CC=C2 |
Product Overview
4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one (CAS 338975-30-7), with molecular formula C18H19NOS2 and molecular weight 329.09 g/mol. IUPAC: 4-(dimethylamino)-1,3-bis(phenylsulfanyl)but-3-en-2-one.
Chemical Property Profile of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one
Property Insights of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one
The XLogP value of 4.5431 indicates that 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one 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 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one?
The CAS number of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one is 338975-30-7.
What is the molecular formula of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one?
The molecular formula of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one is C18H19NOS2.
What is the molecular weight of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one?
The molecular weight of 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one is 329.09 g/mol.
Where can I buy 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one?
You can request a quote for 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-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)-1,3-bis(phenylsulfanyl)-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Dimethylamino)-1,3-bis(phenylsulfanyl)-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.