1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline
TL;DR: 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline (CAS 956777-71-2) is a chemical compound with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,3-dihydroindol-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
Also Known As: 1-({4-Nitro-1H-pyrazol-1-yl}, 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline, 1-indolinyl-2-(4-nitropyrazolyl)ethan-1-one, 1-[(4-nitro-1H-pyrazol-1-yl)acetyl]indoline, 1-(2,3-dihydroindol-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
| Molecular Formula | C13H12N4O3 |
|---|---|
| Molecular Weight | 272.09 g/mol |
| LogP | 1.3806 |
| Topological Polar Surface Area | 81.27 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.09094 |
| Heavy Atoms | 20 |
| Complexity | 679.76074 |
Chemical Identifiers
| CAS Number | 956777-71-2 |
|---|---|
| SMILES | C1CN(C2=CC=CC=C21)C(=O)CN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline (CAS 956777-71-2), with molecular formula C13H12N4O3 and molecular weight 272.09 g/mol. IUPAC: 1-(2,3-dihydroindol-1-yl)-2-(4-nitropyrazol-1-yl)ethanone.
Chemical Property Profile of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline
Property Insights of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline
The XLogP value of 1.3806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline. The TPSA of 81.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline. Following Lipinski's Rule of Five, 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline 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 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline?
The CAS number of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline is 956777-71-2.
What is the molecular formula of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline?
The molecular formula of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline is C13H12N4O3.
What is the molecular weight of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline?
The molecular weight of 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline is 272.09 g/mol.
Where can I buy 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline?
You can request a quote for 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline?
Yes, KEHONG BIO provides custom synthesis services for 1-({4-nitro-1H-pyrazol-1-yl}acetyl)indoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.