1-Hexyl-2,5-dimethyl-pyrrole
TL;DR: 1-Hexyl-2,5-dimethyl-pyrrole (CAS 20293-42-9) is a chemical compound with molecular formula C12H21N and molecular weight 179.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hexyl-2,5-dimethylpyrrole
Also Known As: N-hexyl-2,5-dimethylpyrrole, 1-Hexyl-2,5-dimethyl-1H-pyrrole, 1-hexyl-2,5-dimethylpyrrole, 1-hexyl-2,5-dimethyl-pyrrole, 1H-Pyrrole, 1-hexyl-2,5-dimethyl-
| Molecular Formula | C12H21N |
|---|---|
| Molecular Weight | 179.17 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 179.1674 |
| Heavy Atoms | 13 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 20293-42-9 |
|---|---|
| SMILES | CCCCCCN1C(=CC=C1C)C |
| InChIKey | MFPKJLDMENDRJJ-UHFFFAOYSA-N |
Product Overview
1-Hexyl-2,5-dimethyl-pyrrole (CAS 20293-42-9), with molecular formula C12H21N and molecular weight 179.17 g/mol. IUPAC: 1-hexyl-2,5-dimethylpyrrole.
Chemical Property Profile of 1-Hexyl-2,5-dimethyl-pyrrole
Property Insights of 1-Hexyl-2,5-dimethyl-pyrrole
The XLogP value of 3.7 indicates that 1-Hexyl-2,5-dimethyl-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.9 Ų, 1-Hexyl-2,5-dimethyl-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hexyl-2,5-dimethyl-pyrrole 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 1-Hexyl-2,5-dimethyl-pyrrole?
The CAS number of 1-Hexyl-2,5-dimethyl-pyrrole is 20293-42-9.
What is the molecular formula of 1-Hexyl-2,5-dimethyl-pyrrole?
The molecular formula of 1-Hexyl-2,5-dimethyl-pyrrole is C12H21N.
What is the molecular weight of 1-Hexyl-2,5-dimethyl-pyrrole?
The molecular weight of 1-Hexyl-2,5-dimethyl-pyrrole is 179.17 g/mol.
Where can I buy 1-Hexyl-2,5-dimethyl-pyrrole?
You can request a quote for 1-Hexyl-2,5-dimethyl-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hexyl-2,5-dimethyl-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Hexyl-2,5-dimethyl-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.