1-(Pyridin-3-yl)heptan-1-one
TL;DR: 1-(Pyridin-3-yl)heptan-1-one (CAS 6954-71-8) is a chemical compound with molecular formula C12H17NO and molecular weight 191.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-3-ylheptan-1-one
Also Known As: 1-(pyridin-3-yl)heptan-1-one, 3-heptanoylpyridine, 1-pyridin-3-yl-heptan-1-one, 1-pyridin-3-ylheptan-1-one, 1-[3]pyridyl-heptan-1-one
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 191.13101 |
| Heavy Atoms | 14 |
| Complexity | 168.0 |
Chemical Identifiers
| CAS Number | 6954-71-8 |
|---|---|
| SMILES | CCCCCCC(=O)C1=CN=CC=C1 |
| InChIKey | WJKSBMMOBQQEDB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Pyridin-3-yl)heptan-1-one (CAS 6954-71-8), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 1-pyridin-3-ylheptan-1-one.
Chemical Property Profile of 1-(Pyridin-3-yl)heptan-1-one
Property Insights of 1-(Pyridin-3-yl)heptan-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-3-yl)heptan-1-one. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(Pyridin-3-yl)heptan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-3-yl)heptan-1-one has 0 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-(Pyridin-3-yl)heptan-1-one?
The CAS number of 1-(Pyridin-3-yl)heptan-1-one is 6954-71-8.
What is the molecular formula of 1-(Pyridin-3-yl)heptan-1-one?
The molecular formula of 1-(Pyridin-3-yl)heptan-1-one is C12H17NO.
What is the molecular weight of 1-(Pyridin-3-yl)heptan-1-one?
The molecular weight of 1-(Pyridin-3-yl)heptan-1-one is 191.13 g/mol.
Where can I buy 1-(Pyridin-3-yl)heptan-1-one?
You can request a quote for 1-(Pyridin-3-yl)heptan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyridin-3-yl)heptan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-3-yl)heptan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.