1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
TL;DR: 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- (CAS 520-69-4) is a chemical compound with molecular formula C9H15N and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2,4,5-trimethyl-1H-pyrrole
Also Known As: Phyllopyrrole, Phyllopyrrol, 3-ETHYL-2,4,5-TRIMETHYL-1H-PYRROLE, 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-, Pyrrole, 3-ethyl-2,4,5-trimethyl-
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
Chemical Identifiers
| CAS Number | 520-69-4 |
|---|---|
| SMILES | CCC1=C(NC(=C1C)C)C |
| InChIKey | YEYMBKUFPKCVKT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- (CAS 520-69-4), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 3-ethyl-2,4,5-trimethyl-1H-pyrrole.
Chemical Property Profile of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
Property Insights of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-. With a topological polar surface area (TPSA) of 15.8 Ų, 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- 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 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-?
The CAS number of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- is 520-69-4.
What is the molecular formula of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-?
The molecular formula of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- is C9H15N.
What is the molecular weight of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-?
The molecular weight of 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- is 137.12 g/mol.
Where can I buy 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-?
You can request a quote for 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 3-ethyl-2,4,5-trimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.