4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
TL;DR: 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline (CAS 5044-28-0) is a chemical compound with molecular formula C14H18N2 and molecular weight 214.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline
Also Known As: BAS 02005688, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline, 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline, J2.717.302K, 4-(2,5-Dimethyl-1H-pyrrol-1-yl)-N,N-dimethylbenzenamine
| Molecular Formula | C14H18N2 |
|---|---|
| Molecular Weight | 214.15 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 8.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 214.147 |
| Heavy Atoms | 16 |
| Complexity | 209.0 |
Chemical Identifiers
| CAS Number | 5044-28-0 |
|---|---|
| SMILES | CC1=CC=C(N1C2=CC=C(C=C2)N(C)C)C |
| InChIKey | XGLXLUSJJLDMLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline (CAS 5044-28-0), with molecular formula C14H18N2 and molecular weight 214.15 g/mol. IUPAC: 4-(2,5-dimethylpyrrol-1-yl)-N,N-dimethylaniline.
Chemical Property Profile of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
Property Insights of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline
The XLogP value of 3.2 indicates that 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.2 Ų, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline has 0 hydrogen bond donor(s) and 1 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 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline?
The CAS number of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline is 5044-28-0.
What is the molecular formula of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline?
The molecular formula of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline is C14H18N2.
What is the molecular weight of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline?
The molecular weight of 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline is 214.15 g/mol.
Where can I buy 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline?
You can request a quote for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,5-dimethyl-1H-pyrrol-1-yl)-N,N-dimethylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.