3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole
TL;DR: 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole (CAS 709647-47-2) is a chemical compound with molecular formula C8H13NO2S and molecular weight 187.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethoxy-1-methyl-2-methylsulfanylpyrrole
Also Known As: 3,5-dimethoxy-1-methyl-2-methylthiopyrrole, 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole, 3,5-dimethoxy-1-methyl-2-methylsulfanylpyrrole, 3,5-dimethoxy-1-methyl-2-methylsulfanyl-pyrrole, 1H-PYRROLE, 3,5-DIMETHOXY-1-METHYL-2-(METHYLTHIO)-
| Molecular Formula | C8H13NO2S |
|---|---|
| Molecular Weight | 187.07 g/mol |
| LogP | 1.7642 |
| Topological Polar Surface Area | 23.39 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.0667 |
| Heavy Atoms | 12 |
| Complexity | 270.26672 |
Chemical Identifiers
| CAS Number | 709647-47-2 |
|---|---|
| SMILES | CN1C(=CC(=C1SC)OC)OC |
Product Overview
3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole (CAS 709647-47-2), with molecular formula C8H13NO2S and molecular weight 187.07 g/mol. IUPAC: 3,5-dimethoxy-1-methyl-2-methylsulfanylpyrrole.
Chemical Property Profile of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole
Property Insights of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole
The XLogP value of 1.7642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole. With a topological polar surface area (TPSA) of 23.39 Ų, 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole 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 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole?
The CAS number of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole is 709647-47-2.
What is the molecular formula of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole?
The molecular formula of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole is C8H13NO2S.
What is the molecular weight of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole?
The molecular weight of 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole is 187.07 g/mol.
Where can I buy 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole?
You can request a quote for 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethoxy-1-methyl-2-(methylthio)-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.