N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide
TL;DR: N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide (CAS 478032-94-9) is a chemical compound with molecular formula C21H18ClN3O and molecular weight 363.11 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)-2-chlorobenzamide
Also Known As: Bionet1_003462, 3P-354S, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide, N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzamide, N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-chlorobenzamide
| Molecular Formula | C21H18ClN3O |
|---|---|
| Molecular Weight | 363.11 g/mol |
| LogP | 4.93062 |
| Topological Polar Surface Area | 57.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.11383 |
| Heavy Atoms | 26 |
| Complexity | 1000.08594 |
Chemical Identifiers
| CAS Number | 478032-94-9 |
|---|---|
| SMILES | CC1=C(N(C(=C1C#N)NC(=O)C2=CC=CC=C2Cl)CC3=CC=CC=C3)C |
Product Overview
N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide (CAS 478032-94-9), with molecular formula C21H18ClN3O and molecular weight 363.11 g/mol. IUPAC: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-chlorobenzamide.
Chemical Property Profile of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide
Property Insights of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide
The XLogP value of 4.93062 indicates that N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide 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)-2-chlorobenzenecarboxamide 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)-2-chlorobenzenecarboxamide 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)-2-chlorobenzenecarboxamide?
The CAS number of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide is 478032-94-9.
What is the molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide?
The molecular formula of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide is C21H18ClN3O.
What is the molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide?
The molecular weight of N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide is 363.11 g/mol.
Where can I buy N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide?
You can request a quote for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide 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)-2-chlorobenzenecarboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1-benzyl-3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-chlorobenzenecarboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.