Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
TL;DR: Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 68208-99-1) is a chemical compound with molecular formula C14H19NO3S and molecular weight 281.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
Also Known As: Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-, 1-(3,4,5-Trimethoxythiobenzoyl)pyrrolidine, 1-(3,4,5-TRIMETHOXYBENZENECARBOTHIOYL)PYRROLIDINE, pyrrolidin-1-yl(3,4,5-trimethoxyphenyl)methanethione, pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione
| Molecular Formula | C14H19NO3S |
|---|---|
| Molecular Weight | 281.11 g/mol |
| LogP | 2.4837 |
| Topological Polar Surface Area | 30.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.10855 |
| Heavy Atoms | 19 |
| Complexity | 444.75403 |
Chemical Identifiers
| CAS Number | 68208-99-1 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=S)N2CCCC2 |
Product Overview
Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- (CAS 68208-99-1), with molecular formula C14H19NO3S and molecular weight 281.11 g/mol. IUPAC: pyrrolidin-1-yl-(3,4,5-trimethoxyphenyl)methanethione.
Chemical Property Profile of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
Property Insights of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-
The XLogP value of 2.4837 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-. With a topological polar surface area (TPSA) of 30.93 Ų, Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- has 0 hydrogen bond donor(s) and 4 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 Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The CAS number of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- is 68208-99-1.
What is the molecular formula of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular formula of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- is C14H19NO3S.
What is the molecular weight of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
The molecular weight of Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- is 281.11 g/mol.
Where can I buy Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
You can request a quote for Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyrrolidine, 1-(3,4,5-trimethoxythiobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.