N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide
TL;DR: N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide (CAS 477887-24-4) is a chemical compound with molecular formula C31H22FN3O and molecular weight 471.17 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)-4-fluorobenzamide
Also Known As: 2P-336S, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide, N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)-4-fluorobenzamide, N-(1-benzyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)-4-fluoro-benzamide, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzenecarboxamide
| Molecular Formula | C31H22FN3O |
|---|---|
| Molecular Weight | 471.17 g/mol |
| LogP | 7.13348 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 471.17468 |
| Heavy Atoms | 36 |
| Complexity | 1535.516 |
Chemical Identifiers
| CAS Number | 477887-24-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C(=C2NC(=O)C3=CC=C(C=C3)F)C#N)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide (CAS 477887-24-4), with molecular formula C31H22FN3O and molecular weight 471.17 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)-4-fluorobenzamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide
Property Insights of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide
The XLogP value of 7.13348 indicates that N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide 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)-4-fluorobenzamide 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)-4-fluorobenzamide 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)-4-fluorobenzamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide is 477887-24-4.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide is C31H22FN3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide is 471.17 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide 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)-4-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-4-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.