3-Nitro-4-pyrrolidin-1-ylbenzoic acid
TL;DR: 3-Nitro-4-pyrrolidin-1-ylbenzoic acid (CAS 40832-81-3) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitro-4-pyrrolidin-1-ylbenzoic acid
Also Known As: 3-nitro-4-(pyrrolidin-1-yl)benzoic acid, 3-nitro-4-pyrrolidin-1-ylbenzoic acid, 3-nitro-4-pyrrolidin-1-yl-benzoic Acid, 3-nitro-4-(1-pyrrolidinyl)benzoic acid, 3-nitro-4-pyrrolidinylbenzoic acid
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.8932 |
| Topological Polar Surface Area | 83.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 466.53928 |
Chemical Identifiers
| CAS Number | 40832-81-3 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
3-Nitro-4-pyrrolidin-1-ylbenzoic acid (CAS 40832-81-3), with molecular formula C11H12N2O4 and molecular weight 236.08 g/mol. IUPAC: 3-nitro-4-pyrrolidin-1-ylbenzoic acid.
Chemical Property Profile of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid
Property Insights of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid
The XLogP value of 1.8932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-pyrrolidin-1-ylbenzoic acid. The TPSA of 83.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-pyrrolidin-1-ylbenzoic acid. Following Lipinski's Rule of Five, 3-Nitro-4-pyrrolidin-1-ylbenzoic acid 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-ylbenzoic acid?
The CAS number of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid is 40832-81-3.
What is the molecular formula of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid?
The molecular formula of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid is C11H12N2O4.
What is the molecular weight of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid?
The molecular weight of 3-Nitro-4-pyrrolidin-1-ylbenzoic acid is 236.08 g/mol.
Where can I buy 3-Nitro-4-pyrrolidin-1-ylbenzoic acid?
You can request a quote for 3-Nitro-4-pyrrolidin-1-ylbenzoic acid 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-ylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-pyrrolidin-1-ylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.