2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile
TL;DR: 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile (CAS 477887-44-8) is a chemical compound with molecular formula C28H25N3 and molecular weight 403.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile
Also Known As: 2-(benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile, 1-butyl-4,5-diphenyl-2-[(E)-(phenylmethylidene)amino]-1H-pyrrole-3-carbonitrile, 1-butyl-4,5-diphenyl-2-{[(E)-phenylmethylidene]amino}-1H-pyrrole-3-carbonitrile
| Molecular Formula | C28H25N3 |
|---|---|
| Molecular Weight | 403.20 g/mol |
| LogP | 7.24448 |
| Topological Polar Surface Area | 41.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.20483 |
| Heavy Atoms | 31 |
| Complexity | 1198.1097 |
Chemical Identifiers
| CAS Number | 477887-44-8 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C1N=CC2=CC=CC=C2)C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile (CAS 477887-44-8), with molecular formula C28H25N3 and molecular weight 403.20 g/mol. IUPAC: 2-(benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile.
Chemical Property Profile of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile
Property Insights of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile
The XLogP value of 7.24448 indicates that 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.08 Ų, 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile has 0 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-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile?
The CAS number of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile is 477887-44-8.
What is the molecular formula of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile?
The molecular formula of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile is C28H25N3.
What is the molecular weight of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile?
The molecular weight of 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile is 403.20 g/mol.
Where can I buy 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile?
You can request a quote for 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-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-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylideneamino)-1-butyl-4,5-diphenylpyrrole-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.