3-Nitro-4-(pyrrolidin-1-yl)benzamide
TL;DR: 3-Nitro-4-(pyrrolidin-1-yl)benzamide (CAS 426227-32-9) is a chemical compound with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-pyrrolidin-1-ylbenzamide
Also Known As: 3-nitro-4-(pyrrolidin-1-yl)benzamide, 3-nitro-4-pyrrolidin-1-ylbenzamide, 3-Nitro-4-pyrrolidin-1-yl-benzamide, BB 0244326, AB00107907-01
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 1.2939 |
| Topological Polar Surface Area | 89.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 467.0295 |
Chemical Identifiers
| CAS Number | 426227-32-9 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-] |
Product Overview
3-Nitro-4-(pyrrolidin-1-yl)benzamide (CAS 426227-32-9), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: 3-nitro-4-pyrrolidin-1-ylbenzamide.
Chemical Property Profile of 3-Nitro-4-(pyrrolidin-1-yl)benzamide
Property Insights of 3-Nitro-4-(pyrrolidin-1-yl)benzamide
The XLogP value of 1.2939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-(pyrrolidin-1-yl)benzamide. The TPSA of 89.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-(pyrrolidin-1-yl)benzamide. Following Lipinski's Rule of Five, 3-Nitro-4-(pyrrolidin-1-yl)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-Nitro-4-(pyrrolidin-1-yl)benzamide?
The CAS number of 3-Nitro-4-(pyrrolidin-1-yl)benzamide is 426227-32-9.
What is the molecular formula of 3-Nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular formula of 3-Nitro-4-(pyrrolidin-1-yl)benzamide is C11H13N3O3.
What is the molecular weight of 3-Nitro-4-(pyrrolidin-1-yl)benzamide?
The molecular weight of 3-Nitro-4-(pyrrolidin-1-yl)benzamide is 235.10 g/mol.
Where can I buy 3-Nitro-4-(pyrrolidin-1-yl)benzamide?
You can request a quote for 3-Nitro-4-(pyrrolidin-1-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-4-(pyrrolidin-1-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-(pyrrolidin-1-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.