1H-Pyrrole, 1-ethyl-2,5-dimethyl-
TL;DR: 1H-Pyrrole, 1-ethyl-2,5-dimethyl- (CAS 5044-19-9) 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.
1-ethyl-2,5-dimethylpyrrole
Also Known As: 2,5-dimethyl-1-ethylpyrrole, 1-Ethyl-2,5-dimethyl-1H-pyrrole, 1H-Pyrrole, 1-ethyl-2,5-dimethyl-, 1-ethyl-2,5-dimethylpyrrole, Pyrrole, 1-ethyl-2,5-dimethyl
| Molecular Formula | C8H13N |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 5044-19-9 |
|---|---|
| SMILES | CCN1C(=CC=C1C)C |
| InChIKey | WIXUFIYVGRNTDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 1-ethyl-2,5-dimethyl- (CAS 5044-19-9), with molecular formula C8H13N and molecular weight 123.10 g/mol. IUPAC: 1-ethyl-2,5-dimethylpyrrole.
Chemical Property Profile of 1H-Pyrrole, 1-ethyl-2,5-dimethyl-
Property Insights of 1H-Pyrrole, 1-ethyl-2,5-dimethyl-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 1-ethyl-2,5-dimethyl-. With a topological polar surface area (TPSA) of 4.9 Ų, 1H-Pyrrole, 1-ethyl-2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-ethyl-2,5-dimethyl- has 0 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 1H-Pyrrole, 1-ethyl-2,5-dimethyl-?
The CAS number of 1H-Pyrrole, 1-ethyl-2,5-dimethyl- is 5044-19-9.
What is the molecular formula of 1H-Pyrrole, 1-ethyl-2,5-dimethyl-?
The molecular formula of 1H-Pyrrole, 1-ethyl-2,5-dimethyl- is C8H13N.
What is the molecular weight of 1H-Pyrrole, 1-ethyl-2,5-dimethyl-?
The molecular weight of 1H-Pyrrole, 1-ethyl-2,5-dimethyl- is 123.10 g/mol.
Where can I buy 1H-Pyrrole, 1-ethyl-2,5-dimethyl-?
You can request a quote for 1H-Pyrrole, 1-ethyl-2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 1-ethyl-2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 1-ethyl-2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.