1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one
TL;DR: 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one (CAS 501005-29-4) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-3-yl-2-pyridin-4-ylethanone
Also Known As: starbld0038174, 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one, 1-pyridin-3-yl-2-pyridin-4-ylethanone, 1-(3-Pyridinyl)-2-(4-pyridinyl)ethanone
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 501005-29-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)CC2=CC=NC=C2 |
| InChIKey | VAILBVRGYIGBOX-UHFFFAOYSA-N |
Product Overview
1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one (CAS 501005-29-4), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 1-pyridin-3-yl-2-pyridin-4-ylethanone.
Chemical Property Profile of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one
Property Insights of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one. With a topological polar surface area (TPSA) of 42.9 Ų, 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one 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 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one?
The CAS number of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one is 501005-29-4.
What is the molecular formula of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one?
The molecular formula of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one is C12H10N2O.
What is the molecular weight of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one?
The molecular weight of 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one is 198.08 g/mol.
Where can I buy 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one?
You can request a quote for 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-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)-2-(pyridin-4-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-3-yl)-2-(pyridin-4-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.