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9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
TL;DR: 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde (CAS 39998-67-9) is a chemical compound with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
Also Known As: 5-Bromo-indole-3-carbinol, 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde, 9-Oxo-1,9-dihydropyrazolo[5,1-b]quinazoline-3-carbaldehyde, BAS 00547675, 9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
| Molecular Formula | C11H7N3O2 |
|---|---|
| Molecular Weight | 213.05 g/mol |
| LogP | 0.9883 |
| Topological Polar Surface Area | 67.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.05383 |
| Heavy Atoms | 16 |
| Complexity | 754.59595 |
Chemical Identifiers
| CAS Number | 39998-67-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N3C(=N2)C(=CN3)C=O |
Product Overview
9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde (CAS 39998-67-9), with molecular formula C11H7N3O2 and molecular weight 213.05 g/mol. IUPAC: 9-oxo-1H-pyrazolo[5,1-b]quinazoline-3-carbaldehyde.
Chemical Property Profile of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
Property Insights of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde
The XLogP value of 0.9883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde. The TPSA of 67.23 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde. Following Lipinski's Rule of Five, 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde has 1 hydrogen bond donor(s) and 3 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 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde?
The CAS number of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde is 39998-67-9.
What is the molecular formula of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde?
The molecular formula of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde is C11H7N3O2.
What is the molecular weight of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde?
The molecular weight of 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde is 213.05 g/mol.
Where can I buy 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde?
You can request a quote for 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxo-1,9-dihydro-pyrazolo[5,1-b]quinazoline-3-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.