N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide
TL;DR: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide (CAS 478032-97-2) is a chemical compound with molecular formula C22H21N3O and molecular weight 343.17 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-dimethylpyrrol-2-yl)-3-methylbenzamide
Also Known As: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzamide, N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-3-methylbenzamide, N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-3-methyl-benzamide
| Molecular Formula | C22H21N3O |
|---|---|
| Molecular Weight | 343.17 g/mol |
| LogP | 4.58564 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 343.16846 |
| Heavy Atoms | 26 |
| Complexity | 994.2171 |
Chemical Identifiers
| CAS Number | 478032-97-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=C(C(=C(N2CC3=CC=CC=C3)C)C)C#N |
Product Overview
N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide (CAS 478032-97-2), with molecular formula C22H21N3O and molecular weight 343.17 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-3-methylbenzamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide
Property Insights of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide
The XLogP value of 4.58564 indicates that N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide 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-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide is 478032-97-2.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide is C22H21N3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide is 343.17 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide 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-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-3-methylbenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.