1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-
TL;DR: 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- (CAS 85607-53-0) is a chemical compound with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-indol-3-yl)-3-oxopiperazine-1-carbaldehyde
Also Known As: 2-(1H-Indol-3-yl)-3-oxo-1-piperazinecarboxaldehyde, 1-piperazinecarboxaldehyde,2-3-oxo-, 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-, 1-Piperazinecarboxaldehyde,2- -3-oxo-, 3-(3-indolyl)-4-formylpiperazin-2-one
| Molecular Formula | C13H13N3O2 |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 0.7972 |
| Topological Polar Surface Area | 65.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.10077 |
| Heavy Atoms | 18 |
| Complexity | 605.05707 |
Chemical Identifiers
| CAS Number | 85607-53-0 |
|---|---|
| SMILES | C1CN(C(C(=O)N1)C2=CNC3=CC=CC=C32)C=O |
Product Overview
1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- (CAS 85607-53-0), with molecular formula C13H13N3O2 and molecular weight 243.10 g/mol. IUPAC: 2-(1H-indol-3-yl)-3-oxopiperazine-1-carbaldehyde.
Chemical Property Profile of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-
Property Insights of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-
The XLogP value of 0.7972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-. The TPSA of 65.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-. Following Lipinski's Rule of Five, 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- has 2 hydrogen bond donor(s) and 2 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-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-?
The CAS number of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- is 85607-53-0.
What is the molecular formula of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-?
The molecular formula of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- is C13H13N3O2.
What is the molecular weight of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-?
The molecular weight of 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- is 243.10 g/mol.
Where can I buy 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-?
You can request a quote for 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Piperazinecarboxaldehyde, 2-(1H-indol-3-yl)-3-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.