2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile
TL;DR: 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (CAS 477887-28-8) is a chemical compound with molecular formula C21H21N3 and molecular weight 315.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-1-butyl-4,5-diphenylpyrrole-3-carbonitrile
Also Known As: 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile, aminobutyldiphenylpyrrolecarbonitrile, 2-amino-1-butyl-4,5-diphenylpyrrole-3-carbonitrile, 2P-341S, 2-amino-1-butyl-4,5-diphenyl-pyrrole-3-carbonitrile
| Molecular Formula | C21H21N3 |
|---|---|
| Molecular Weight | 315.17 g/mol |
| LogP | 5.07608 |
| Topological Polar Surface Area | 54.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.17355 |
| Heavy Atoms | 24 |
| Complexity | 855.59467 |
Chemical Identifiers
| CAS Number | 477887-28-8 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C1N)C#N)C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile (CAS 477887-28-8), with molecular formula C21H21N3 and molecular weight 315.17 g/mol. IUPAC: 2-amino-1-butyl-4,5-diphenylpyrrole-3-carbonitrile.
Chemical Property Profile of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile
Property Insights of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile
The XLogP value of 5.07608 indicates that 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.74 Ų, 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The CAS number of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile is 477887-28-8.
What is the molecular formula of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The molecular formula of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile is C21H21N3.
What is the molecular weight of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
The molecular weight of 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile is 315.17 g/mol.
Where can I buy 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
You can request a quote for 2-amino-1-butyl-4,5-diphenyl-1H-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-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-amino-1-butyl-4,5-diphenyl-1H-pyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.