Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-
TL;DR: Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- (CAS 59921-85-6) is a chemical compound with molecular formula C15H21NOS and molecular weight 263.1344 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Also Known As: 4'-Methylthio-4-(pyrrolidinyl)butyrophenone, BUTYROPHENONE, 4'-METHYLTHIO-4-(1-PYRROLIDINYL)-, 4 -Methylthio-gamma-(1-pyrrolidinyl)butyrophenone, 1-[4-(Methylsulfanyl)phenyl]-4-(pyrrolidin-1-yl)butan-1-one, 1-(4-methylsulfanylphenyl)-4-pyrrolidin-1-ylbutan-1-one
Technical Specifications
| Molecular Formula | C15H21NOS |
| Molecular Weight | 263.1344 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 263.1344 Da |
| Heavy Atoms | 18 |
| Complexity | 255.0 |
| SMILES | CSC1=CC=C(C=C1)C(=O)CCCN2CCCC2 |
| InChIKey | XIDCYMLWJVYVFN-UHFFFAOYSA-N |
Chemical Property Profile of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-
Property Insights of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 45.6 Ų, Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- 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
What is the CAS number of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-?
The CAS number of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- is 59921-85-6.
What is the molecular formula of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-?
The molecular formula of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- is C15H21NOS.
What is the molecular weight of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-?
The molecular weight of Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- is 263.1344 g/mol.
Where can I buy Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-?
You can request a quote for Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)-?
Yes, CoreyChem provides custom synthesis services for Butyrophenone, 4'-methylthio-4-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.