3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime
TL;DR: 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime (CAS 329695-69-4) 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.
N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
Also Known As: 3-nitro-4-pyrrolidin-1-ylbenzaldehyde oxime, 3-nitro-4-(1-pyrrolidinyl)benzenecarbaldehyde oxime, N-{[3-nitro-4-(pyrrolidin-1-yl)phenyl]methylidene}hydroxylamine, N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine
| Molecular Formula | C11H13N3O3 |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 2.0031 |
| Topological Polar Surface Area | 78.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.09569 |
| Heavy Atoms | 17 |
| Complexity | 453.27493 |
Chemical Identifiers
| CAS Number | 329695-69-4 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C=C(C=C2)C=NO)[N+](=O)[O-] |
Product Overview
3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime (CAS 329695-69-4), with molecular formula C11H13N3O3 and molecular weight 235.10 g/mol. IUPAC: N-[(3-nitro-4-pyrrolidin-1-ylphenyl)methylidene]hydroxylamine.
Chemical Property Profile of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime
Property Insights of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime
The XLogP value of 2.0031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime. The TPSA of 78.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime. Following Lipinski's Rule of Five, 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime has 1 hydrogen bond donor(s) and 5 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-ylbenzaldehyde oxime?
The CAS number of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime is 329695-69-4.
What is the molecular formula of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime?
The molecular formula of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime is C11H13N3O3.
What is the molecular weight of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime?
The molecular weight of 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime is 235.10 g/mol.
Where can I buy 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime?
You can request a quote for 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime 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-ylbenzaldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-4-pyrrolidin-1-ylbenzaldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.