2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
TL;DR: 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile (CAS 157286-82-3) is a chemical compound with molecular formula C16H19N3 and molecular weight 253.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
Also Known As: 2-Amino-1-mesityl-4,5-dimethyl-1H-pyrrole-3-carbonitrile, 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile, NCI60_039941, 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)-1H-pyrrole-3-carbonitrile, 2-AMINO-4,5-DIMETHYL-1-(2,4,6-TRIMETHYL-PHENYL)-1H-PYRROLE-3-CARBONITRILE
| Molecular Formula | C16H19N3 |
|---|---|
| Molecular Weight | 253.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 253.1579 |
| Heavy Atoms | 19 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 157286-82-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)N2C(=C(C(=C2N)C#N)C)C)C |
| InChIKey | DIQBKQWMTLZBOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile (CAS 157286-82-3), with molecular formula C16H19N3 and molecular weight 253.16 g/mol. IUPAC: 2-amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile.
Chemical Property Profile of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
Property Insights of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile
The XLogP value of 4.1 indicates that 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile?
The CAS number of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile is 157286-82-3.
What is the molecular formula of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile?
The molecular formula of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile is C16H19N3.
What is the molecular weight of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile?
The molecular weight of 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile is 253.16 g/mol.
Where can I buy 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile?
You can request a quote for 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Amino-4,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.