![3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile structure](/static/products/453/453512-41-9.png)
3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
TL;DR: 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (CAS 453512-41-9) is a chemical compound with molecular formula C15H16N2OS and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-methylsulfanylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Also Known As: AB00715550-01, (E)-3-(4-methylsulfanylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile, 3-[4-(methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
| Molecular Formula | C15H16N2OS |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 2.93788 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09833 |
| Heavy Atoms | 19 |
| Complexity | 522.0717 |
Chemical Identifiers
| CAS Number | 453512-41-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCCC2 |
Product Overview
3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile (CAS 453512-41-9), with molecular formula C15H16N2OS and molecular weight 272.10 g/mol. IUPAC: (E)-3-(4-methylsulfanylphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile.
Chemical Property Profile of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Property Insights of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
The XLogP value of 2.93788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile. With a topological polar surface area (TPSA) of 44.1 Ų, 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile 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-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The CAS number of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is 453512-41-9.
What is the molecular formula of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The molecular formula of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is C15H16N2OS.
What is the molecular weight of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
The molecular weight of 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile is 272.10 g/mol.
Where can I buy 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
You can request a quote for 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Methylsulfanyl)phenyl]-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.