1H-Pyrrole, 2,5-diethyl-
TL;DR: 1H-Pyrrole, 2,5-diethyl- (CAS 766-95-0) is a chemical compound with molecular formula CCC1=CC=C(N1)CC and molecular weight 123.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethyl-1H-pyrrole
Also Known As: 2,5-diethyl-1H-pyrrole, 1H-Pyrrole, 2,5-diethyl-, 2,5-diethylpyr-role, 1950AC
| Molecular Formula | CCC1=CC=C(N1)CC |
|---|---|
| Molecular Weight | 123.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 15.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 123.1048 |
| Heavy Atoms | 9 |
| Complexity | 70.0 |
Chemical Identifiers
| CAS Number | 766-95-0 |
|---|---|
| SMILES | CCC1=CC=C(N1)CC |
| InChIKey | CIKZQBMEPDKJHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Pyrrole, 2,5-diethyl- (CAS 766-95-0), with molecular formula CCC1=CC=C(N1)CC and molecular weight 123.10 g/mol. IUPAC: 2,5-diethyl-1H-pyrrole.
Chemical Property Profile of 1H-Pyrrole, 2,5-diethyl-
Property Insights of 1H-Pyrrole, 2,5-diethyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 2,5-diethyl-. With a topological polar surface area (TPSA) of 15.8 Ų, 1H-Pyrrole, 2,5-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 2,5-diethyl- 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, 2,5-diethyl-?
The CAS number of 1H-Pyrrole, 2,5-diethyl- is 766-95-0.
What is the molecular formula of 1H-Pyrrole, 2,5-diethyl-?
The molecular formula of 1H-Pyrrole, 2,5-diethyl- is CCC1=CC=C(N1)CC.
What is the molecular weight of 1H-Pyrrole, 2,5-diethyl-?
The molecular weight of 1H-Pyrrole, 2,5-diethyl- is 123.10 g/mol.
Where can I buy 1H-Pyrrole, 2,5-diethyl-?
You can request a quote for 1H-Pyrrole, 2,5-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 2,5-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 2,5-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.