5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde
TL;DR: 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde (CAS 30742-59-7) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-pyrrolidin-1-ylbenzaldehyde
Also Known As: 5-nitro-2-(pyrrolidin-1-yl)benzaldehyde, 5-nitro-2-pyrrolidin-1-ylbenzaldehyde, 5-Nitro-2-(1-pyrrolidinyl)benzenecarbaldehyde, 5-Nitro-2-pyrrolidin-1-yl-benzaldehyde, JS-174C
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 2.0075 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 425.23788 |
Chemical Identifiers
| CAS Number | 30742-59-7 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C=O |
Product Overview
5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde (CAS 30742-59-7), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 5-nitro-2-pyrrolidin-1-ylbenzaldehyde.
Chemical Property Profile of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde
Property Insights of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde
The XLogP value of 2.0075 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde. Following Lipinski's Rule of Five, 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde has 0 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 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde?
The CAS number of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde is 30742-59-7.
What is the molecular formula of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde?
The molecular formula of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde is C11H12N2O3.
What is the molecular weight of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde?
The molecular weight of 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde is 220.08 g/mol.
Where can I buy 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde?
You can request a quote for 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-(pyrrolidin-1-yl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.