1-(4-Pyridinyl)-1-heptanone
TL;DR: 1-(4-Pyridinyl)-1-heptanone (CAS 32941-30-3) 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-4-ylheptan-1-one
Also Known As: 1-(Pyridin-4-yl)heptan-1-one, 4-Heptanoylpyridine, Heptyl 4-pyridyl ketone, Pyridine, 4-heptanoyl-, Ketone, heptyl 4-pyridyl
| Molecular Formula | C12H17NO |
|---|---|
| Molecular Weight | 191.13 g/mol |
| LogP | 3.0 |
| 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 | 162.0 |
Chemical Identifiers
| CAS Number | 32941-30-3 |
|---|---|
| SMILES | CCCCCCC(=O)C1=CC=NC=C1 |
| InChIKey | MLBWTXHUVGBPNL-UHFFFAOYSA-N |
Product Overview
1-(4-Pyridinyl)-1-heptanone (CAS 32941-30-3), with molecular formula C12H17NO and molecular weight 191.13 g/mol. IUPAC: 1-pyridin-4-ylheptan-1-one.
Chemical Property Profile of 1-(4-Pyridinyl)-1-heptanone
Property Insights of 1-(4-Pyridinyl)-1-heptanone
The XLogP value of 3.0 indicates that 1-(4-Pyridinyl)-1-heptanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(4-Pyridinyl)-1-heptanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Pyridinyl)-1-heptanone 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-(4-Pyridinyl)-1-heptanone?
The CAS number of 1-(4-Pyridinyl)-1-heptanone is 32941-30-3.
What is the molecular formula of 1-(4-Pyridinyl)-1-heptanone?
The molecular formula of 1-(4-Pyridinyl)-1-heptanone is C12H17NO.
What is the molecular weight of 1-(4-Pyridinyl)-1-heptanone?
The molecular weight of 1-(4-Pyridinyl)-1-heptanone is 191.13 g/mol.
Where can I buy 1-(4-Pyridinyl)-1-heptanone?
You can request a quote for 1-(4-Pyridinyl)-1-heptanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Pyridinyl)-1-heptanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridinyl)-1-heptanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.