3,4-Dimethylpyrrole
TL;DR: 3,4-Dimethylpyrrole (CAS 87106-17-0) is a chemical compound with molecular formula C6H9N and molecular weight 95.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dimethyl-1H-pyrrole
Also Known As: 3,4-dimethyl-1H-pyrrole, 3,4-DIMETHYLPYRROLE, 1H-Pyrrole, 3,4-dimethyl-, pyrrole, 3,4-dimethyl-, 3,4-dimethyl-1H-pyrrol
| Molecular Formula | C6H9N |
|---|---|
| Molecular Weight | 95.07 g/mol |
| LogP | 1.63154 |
| Topological Polar Surface Area | 15.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 95.0735 |
| Heavy Atoms | 7 |
| Complexity | 136.46855 |
Chemical Identifiers
| CAS Number | 87106-17-0 |
|---|---|
| SMILES | CC1=CNC=C1C |
Product Overview
3,4-Dimethylpyrrole (CAS 87106-17-0), with molecular formula C6H9N and molecular weight 95.07 g/mol. IUPAC: 3,4-dimethyl-1H-pyrrole.
Chemical Property Profile of 3,4-Dimethylpyrrole
Property Insights of 3,4-Dimethylpyrrole
The XLogP value of 1.63154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dimethylpyrrole. With a topological polar surface area (TPSA) of 15.79 Ų, 3,4-Dimethylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dimethylpyrrole has 1 hydrogen bond donor(s) and 0 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-Dimethylpyrrole?
The CAS number of 3,4-Dimethylpyrrole is 87106-17-0.
What is the molecular formula of 3,4-Dimethylpyrrole?
The molecular formula of 3,4-Dimethylpyrrole is C6H9N.
What is the molecular weight of 3,4-Dimethylpyrrole?
The molecular weight of 3,4-Dimethylpyrrole is 95.07 g/mol.
Where can I buy 3,4-Dimethylpyrrole?
You can request a quote for 3,4-Dimethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dimethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dimethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.