(2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone
TL;DR: (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone (CAS 349088-19-3) is a chemical compound with molecular formula C13H17NO2S and molecular weight 251.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone
Also Known As: (2-methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone, AB00104081-01, AJ-292/14129264, [2-methoxy-4-(methylsulfanyl)phenyl](1-pyrrolidinyl)methanone, (2-methoxy-4-(methylthio)phenyl)(pyrrolidin-1-yl)methanone
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.6531 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.098 |
| Heavy Atoms | 17 |
| Complexity | 413.88052 |
Chemical Identifiers
| CAS Number | 349088-19-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)SC)C(=O)N2CCCC2 |
Product Overview
(2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone (CAS 349088-19-3), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: (2-methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone.
Chemical Property Profile of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone
Property Insights of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone
The XLogP value of 2.6531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone. With a topological polar surface area (TPSA) of 29.54 Ų, (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone 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 (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone?
The CAS number of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone is 349088-19-3.
What is the molecular formula of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone?
The molecular formula of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone is C13H17NO2S.
What is the molecular weight of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone?
The molecular weight of (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone is 251.10 g/mol.
Where can I buy (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone?
You can request a quote for (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Methoxy-4-methylsulfanylphenyl)-pyrrolidin-1-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.