(2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
TL;DR: (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione (CAS 309733-91-3) 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.
(2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
Also Known As: 1-(2,4-dimethoxybenzothioyl)pyrrolidine, BIM-0044025.P001, (2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione, (2,4-dimethoxyphenyl)(pyrrolidin-1-yl)methanethione
| Molecular Formula | C13H17NO2S |
|---|---|
| Molecular Weight | 251.10 g/mol |
| LogP | 2.4751 |
| Topological Polar Surface Area | 21.7 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 | 309733-91-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)C(=S)N2CCCC2)OC |
Product Overview
(2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione (CAS 309733-91-3), with molecular formula C13H17NO2S and molecular weight 251.10 g/mol. IUPAC: (2,4-dimethoxyphenyl)-pyrrolidin-1-ylmethanethione.
Chemical Property Profile of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
Property Insights of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione
The XLogP value of 2.4751 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione. With a topological polar surface area (TPSA) of 21.7 Ų, (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione 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 (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione?
The CAS number of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione is 309733-91-3.
What is the molecular formula of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione?
The molecular formula of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione is C13H17NO2S.
What is the molecular weight of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione?
The molecular weight of (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione is 251.10 g/mol.
Where can I buy (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione?
You can request a quote for (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dimethoxyphenyl)-pyrrolidin-1-ylmethanethione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.