3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
TL;DR: 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide (CAS 433245-15-9) is a chemical compound with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
Also Known As: AB00122533-01, 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide, 3-bromo-N-[2-methyl-4-nitro-5-(pyrrolidin-1-yl)phenyl]benzamide, A3033/0127961
| Molecular Formula | C18H18BrN3O3 |
|---|---|
| Molecular Weight | 403.05 g/mol |
| LogP | 4.51822 |
| Topological Polar Surface Area | 75.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.05316 |
| Heavy Atoms | 25 |
| Complexity | 832.31116 |
Chemical Identifiers
| CAS Number | 433245-15-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1NC(=O)C2=CC(=CC=C2)Br)N3CCCC3)[N+](=O)[O-] |
Product Overview
3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide (CAS 433245-15-9), with molecular formula C18H18BrN3O3 and molecular weight 403.05 g/mol. IUPAC: 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide.
Chemical Property Profile of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
Property Insights of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide
The XLogP value of 4.51822 indicates that 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide. Following Lipinski's Rule of Five, 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide has 1 hydrogen bond donor(s) and 4 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 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide?
The CAS number of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide is 433245-15-9.
What is the molecular formula of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide?
The molecular formula of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide is C18H18BrN3O3.
What is the molecular weight of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide?
The molecular weight of 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide is 403.05 g/mol.
Where can I buy 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide?
You can request a quote for 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-bromo-N-(2-methyl-4-nitro-5-pyrrolidin-1-ylphenyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.