1-Butyl-2,5-dimethyl-1H-pyrrole
TL;DR: 1-Butyl-2,5-dimethyl-1H-pyrrole (CAS 20282-40-0) is a chemical compound with molecular formula C10H17N and molecular weight 151.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-2,5-dimethylpyrrole
Also Known As: 1-butyl-2,5-dimethyl-1H-pyrrole, 1-butyl-2,5-dimethylpyrrole, 2,5-dimethyl-N-butylpyrrole, 2,5-Dimethyl-1-butyl-1H-pyrrole, 1H-Pyrrole, 1-butyl-2,5-dimethyl-
| Molecular Formula | C10H17N |
|---|---|
| Molecular Weight | 151.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 4.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 151.1361 |
| Heavy Atoms | 11 |
| Complexity | 101.0 |
Chemical Identifiers
| CAS Number | 20282-40-0 |
|---|---|
| SMILES | CCCCN1C(=CC=C1C)C |
| InChIKey | JGKOPBGMDUJNPF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Butyl-2,5-dimethyl-1H-pyrrole (CAS 20282-40-0), with molecular formula C10H17N and molecular weight 151.14 g/mol. IUPAC: 1-butyl-2,5-dimethylpyrrole.
Chemical Property Profile of 1-Butyl-2,5-dimethyl-1H-pyrrole
Property Insights of 1-Butyl-2,5-dimethyl-1H-pyrrole
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyl-2,5-dimethyl-1H-pyrrole. With a topological polar surface area (TPSA) of 4.9 Ų, 1-Butyl-2,5-dimethyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyl-2,5-dimethyl-1H-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-Butyl-2,5-dimethyl-1H-pyrrole?
The CAS number of 1-Butyl-2,5-dimethyl-1H-pyrrole is 20282-40-0.
What is the molecular formula of 1-Butyl-2,5-dimethyl-1H-pyrrole?
The molecular formula of 1-Butyl-2,5-dimethyl-1H-pyrrole is C10H17N.
What is the molecular weight of 1-Butyl-2,5-dimethyl-1H-pyrrole?
The molecular weight of 1-Butyl-2,5-dimethyl-1H-pyrrole is 151.14 g/mol.
Where can I buy 1-Butyl-2,5-dimethyl-1H-pyrrole?
You can request a quote for 1-Butyl-2,5-dimethyl-1H-pyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyl-2,5-dimethyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyl-2,5-dimethyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.