1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole
TL;DR: 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole (CAS 95337-71-6) is a chemical compound with molecular formula C16H21N and molecular weight 227.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)-2,5-dimethylpyrrole
Also Known As: 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole, 1-(4-tert-butylphenyl)-2,5-dimethylpyrrole, 1-[4-(1,1-Dimethylethyl)phenyl]-2,5-dimethyl-1H-pyrrole, 1-[4-(tert-butyl)phenyl]-2,5-dimethylpyrrole, AN-648/40769986
| Molecular Formula | C16H21N |
|---|---|
| Molecular Weight | 227.17 g/mol |
| LogP | 4.39164 |
| Topological Polar Surface Area | 4.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 227.1674 |
| Heavy Atoms | 17 |
| Complexity | 489.9485 |
Chemical Identifiers
| CAS Number | 95337-71-6 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole (CAS 95337-71-6), with molecular formula C16H21N and molecular weight 227.17 g/mol. IUPAC: 1-(4-tert-butylphenyl)-2,5-dimethylpyrrole.
Chemical Property Profile of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole
Property Insights of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole
The XLogP value of 4.39164 indicates that 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 4.93 Ų, 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole?
The CAS number of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole is 95337-71-6.
What is the molecular formula of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole?
The molecular formula of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole is C16H21N.
What is the molecular weight of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole?
The molecular weight of 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole is 227.17 g/mol.
Where can I buy 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole?
You can request a quote for 1-(4-tert-butylphenyl)-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-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-tert-butylphenyl)-2,5-dimethyl-1H-pyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.