3-氧代-N-(吡啶-3-基)丁酰胺
TL;DR: 3-氧代-N-(吡啶-3-基)丁酰胺 (CAS 16661-12-4) is a chemical compound with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氧代-N-(吡啶-3-基)丁酰胺
3-oxo-N-pyridin-3-ylbutanamide
Also Known As: 3-oxo-n-(pyridin-3-yl)butanamide, 3-oxo-N-3-pyridinylbutanamide, 3-oxo-N-pyridin-3-ylbutanamide, Butanamide, 3-oxo-N-3-pyridinyl-, N-(3-Pyridyl)acetoacetamide
| Molecular Formula | C9H10N2O2 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 59.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.07423 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 16661-12-4 |
|---|---|
| SMILES | CC(=O)CC(=O)NC1=CN=CC=C1 |
| InChIKey | FAIPYLBFPQYODX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-氧代-N-(吡啶-3-基)丁酰胺 (CAS 16661-12-4), with molecular formula C9H10N2O2 and molecular weight 178.07 g/mol. IUPAC: 3-oxo-N-pyridin-3-ylbutanamide.
Chemical Property Profile of 3-氧代-N-(吡啶-3-基)丁酰胺
Property Insights of 3-氧代-N-(吡啶-3-基)丁酰胺
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氧代-N-(吡啶-3-基)丁酰胺. With a topological polar surface area (TPSA) of 59.1 Ų, 3-氧代-N-(吡啶-3-基)丁酰胺 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氧代-N-(吡啶-3-基)丁酰胺 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 3-氧代-N-(吡啶-3-基)丁酰胺?
The CAS number of 3-氧代-N-(吡啶-3-基)丁酰胺 is 16661-12-4.
What is the molecular formula of 3-氧代-N-(吡啶-3-基)丁酰胺?
The molecular formula of 3-氧代-N-(吡啶-3-基)丁酰胺 is C9H10N2O2.
What is the molecular weight of 3-氧代-N-(吡啶-3-基)丁酰胺?
The molecular weight of 3-氧代-N-(吡啶-3-基)丁酰胺 is 178.07 g/mol.
Where can I buy 3-氧代-N-(吡啶-3-基)丁酰胺?
You can request a quote for 3-氧代-N-(吡啶-3-基)丁酰胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氧代-N-(吡啶-3-基)丁酰胺?
Yes, KEHONG BIO provides custom synthesis services for 3-氧代-N-(吡啶-3-基)丁酰胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.