N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide
TL;DR: N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide (CAS 477887-16-4) is a chemical compound with molecular formula C28H25N3O and molecular weight 419.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)butanamide
Also Known As: N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide, 2P-324S, N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)butanamide
| Molecular Formula | C28H25N3O |
|---|---|
| Molecular Weight | 419.20 g/mol |
| LogP | 6.48068 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 419.19977 |
| Heavy Atoms | 32 |
| Complexity | 1236.8396 |
Chemical Identifiers
| CAS Number | 477887-16-4 |
|---|---|
| SMILES | CCCC(=O)NC1=C(C(=C(N1CC2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4)C#N |
Product Overview
N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide (CAS 477887-16-4), with molecular formula C28H25N3O and molecular weight 419.20 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)butanamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide
Property Insights of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide
The XLogP value of 6.48068 indicates that N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.82 Ų, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide 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 N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide is 477887-16-4.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide is C28H25N3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide is 419.20 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.