![3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one structure](/static/products/7651/76511-79-0.webp)
3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one
TL;DR: 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one (CAS 76511-79-0) is a chemical compound with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)sulfanyl-4-(dimethylamino)but-3-en-2-one
Also Known As: 3-(4-chlorophenyl)sulfanyl-4-(dimethylamino)but-3-en-2-one, 3-[(4-chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one, 3-[(4-CHLOROPHENYL)SULFANYL]-4-(DIMETHYLAMINO)BUT-3-EN-2-ONE, 3-(4-chlorophenyl)sulfanyl-4-dimethylamino-but-3-en-2-one, 3-[(4-chlorophenyl)thio]-4-(dimethylamino)but-3-en-2-one
| Molecular Formula | C12H14ClNOS |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.04846 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 76511-79-0 |
|---|---|
| SMILES | CC(=O)C(=CN(C)C)SC1=CC=C(C=C1)Cl |
| InChIKey | SGYJFBFGCLHJJI-UHFFFAOYSA-N |
Product Overview
3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one (CAS 76511-79-0), with molecular formula C12H14ClNOS and molecular weight 255.05 g/mol. IUPAC: 3-(4-chlorophenyl)sulfanyl-4-(dimethylamino)but-3-en-2-one.
Chemical Property Profile of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one
Property Insights of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one
The XLogP value of 3.2 indicates that 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-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 45.6 Ų, 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-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 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one?
The CAS number of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one is 76511-79-0.
What is the molecular formula of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one?
The molecular formula of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one is C12H14ClNOS.
What is the molecular weight of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one?
The molecular weight of 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one is 255.05 g/mol.
Where can I buy 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one?
You can request a quote for 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-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 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Chlorophenyl)sulfanyl]-4-(dimethylamino)-3-buten-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.