2,4-Dimethyl-3-ethylpyrrole
TL;DR: 2,4-Dimethyl-3-ethylpyrrole (CAS 517-22-6) is a chemical compound with molecular formula C8H13N and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,4-dimethyl-1H-pyrrole
Also Known As: Kryptopyrrole, 3-Ethyl-2,4-dimethyl-1H-pyrrole, 2,4-Dimethyl-3-ethylpyrrole, Cryptopyrrole, Kryptopyrrol
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 517-22-6 |
|---|---|
| SMILES | CCC1=C(NC=C1C)C |
| InChIKey | ZEBBLOXDLGIMEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl-3-ethylpyrrole (CAS 517-22-6), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 3-ethyl-2,4-dimethyl-1H-pyrrole.
Chemical Property Profile of 2,4-Dimethyl-3-ethylpyrrole
Property Insights of 2,4-Dimethyl-3-ethylpyrrole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-3-ethylpyrrole. With a topological polar surface area (TPSA) of 15.8 Ų, 2,4-Dimethyl-3-ethylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dimethyl-3-ethylpyrrole 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 2,4-Dimethyl-3-ethylpyrrole?
The CAS number of 2,4-Dimethyl-3-ethylpyrrole is 517-22-6.
What is the molecular formula of 2,4-Dimethyl-3-ethylpyrrole?
The molecular formula of 2,4-Dimethyl-3-ethylpyrrole is C8H13N.
What is the molecular weight of 2,4-Dimethyl-3-ethylpyrrole?
The molecular weight of 2,4-Dimethyl-3-ethylpyrrole is 123.10 g/mol.
Where can I buy 2,4-Dimethyl-3-ethylpyrrole?
You can request a quote for 2,4-Dimethyl-3-ethylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-3-ethylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-3-ethylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.