N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide
TL;DR: N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide (CAS 477887-33-5) is a chemical compound with molecular formula C29H27N3O2 and molecular weight 449.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)-2-methoxybenzamide
Also Known As: 2P-354S, N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide, N-(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)-2-methoxybenzamide, N-(1-butyl-3-cyano-4,5-diphenyl-pyrrol-2-yl)-2-methoxy-benzamide, N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzamide
| Molecular Formula | C29H27N3O2 |
|---|---|
| Molecular Weight | 449.21 g/mol |
| LogP | 6.75478 |
| Topological Polar Surface Area | 67.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 449.21033 |
| Heavy Atoms | 34 |
| Complexity | 1318.9955 |
Chemical Identifiers
| CAS Number | 477887-33-5 |
|---|---|
| SMILES | CCCCN1C(=C(C(=C1NC(=O)C2=CC=CC=C2OC)C#N)C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide (CAS 477887-33-5), with molecular formula C29H27N3O2 and molecular weight 449.21 g/mol. IUPAC: N-(1-butyl-3-cyano-4,5-diphenylpyrrol-2-yl)-2-methoxybenzamide.
Chemical Property Profile of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide
Property Insights of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide
The XLogP value of 6.75478 indicates that N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.05 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide. Following Lipinski's Rule of Five, N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide 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-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide?
The CAS number of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide is 477887-33-5.
What is the molecular formula of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide?
The molecular formula of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide is C29H27N3O2.
What is the molecular weight of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide?
The molecular weight of N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide is 449.21 g/mol.
Where can I buy N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide?
You can request a quote for N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-butyl-3-cyano-4,5-diphenyl-1H-pyrrol-2-yl)-2-methoxybenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.