N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide
TL;DR: N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide (CAS 477887-27-7) is a chemical compound with molecular formula C29H21N3OS and molecular weight 459.14 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)thiophene-2-carboxamide
Also Known As: 2P-339S, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide, N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)thiophene-2-carboxamide, N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)thiophene-2-carboxamide, N-(1-benzyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)thiophene-2-carboxamide
| Molecular Formula | C29H21N3OS |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 7.05588 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.14053 |
| Heavy Atoms | 34 |
| Complexity | 1449.1139 |
Chemical Identifiers
| CAS Number | 477887-27-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=C(C(=C2NC(=O)C3=CC=CS3)C#N)C4=CC=CC=C4)C5=CC=CC=C5 |
Product Overview
N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide (CAS 477887-27-7), with molecular formula C29H21N3OS and molecular weight 459.14 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-diphenylpyrrol-2-yl)thiophene-2-carboxamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide
Property Insights of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide
The XLogP value of 7.05588 indicates that N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide 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)-2-thiophenecarboxamide 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)-2-thiophenecarboxamide has 1 hydrogen bond donor(s) and 3 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)-2-thiophenecarboxamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide is 477887-27-7.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide is C29H21N3OS.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide is 459.14 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide 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)-2-thiophenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-thiophenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.