gamma-Oxo-3-pyridinebutanal
TL;DR: gamma-Oxo-3-pyridinebutanal (CAS 76014-80-7) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-pyridin-3-ylbutanal
Also Known As: 4-Oxo-4-(3-pyridyl)butanal, 4-oxo-4-(pyridin-3-yl)butanal, gamma-Oxo-3-pyridinebutanal, 4-Oxo-4-(3-pyridinebutanal), 4-oxo-4-pyridin-3-ylbutanal
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 76014-80-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)CCC=O |
| InChIKey | CFONOJVUTZAMCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
gamma-Oxo-3-pyridinebutanal (CAS 76014-80-7), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 4-oxo-4-pyridin-3-ylbutanal.
Chemical Property Profile of gamma-Oxo-3-pyridinebutanal
Property Insights of gamma-Oxo-3-pyridinebutanal
The XLogP value of -0.2 indicates that gamma-Oxo-3-pyridinebutanal is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.0 Ų, gamma-Oxo-3-pyridinebutanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, gamma-Oxo-3-pyridinebutanal has 0 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 gamma-Oxo-3-pyridinebutanal?
The CAS number of gamma-Oxo-3-pyridinebutanal is 76014-80-7.
What is the molecular formula of gamma-Oxo-3-pyridinebutanal?
The molecular formula of gamma-Oxo-3-pyridinebutanal is C9H9NO2.
What is the molecular weight of gamma-Oxo-3-pyridinebutanal?
The molecular weight of gamma-Oxo-3-pyridinebutanal is 163.06 g/mol.
Where can I buy gamma-Oxo-3-pyridinebutanal?
You can request a quote for gamma-Oxo-3-pyridinebutanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for gamma-Oxo-3-pyridinebutanal?
Yes, KEHONG BIO provides custom synthesis services for gamma-Oxo-3-pyridinebutanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.