1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
TL;DR: 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine (CAS 3451-88-5) is a chemical compound with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1-acetyl-4H-pyridin-4-yl)-4H-pyridin-1-yl]ethanone
Also Known As: Dathbp, 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine, 1-[4-(1-acetyl-4H-pyridin-4-yl)-4H-pyridin-1-yl]ethanone, 1,1'-(4,4'-bipyridine-1,1'(4h,4'h)-diyl)diethanone, 4,4'-Bipyridine, 1,1'-diacetyl-1,1',4,4'-tetrahydro-
| Molecular Formula | C14H16N2O2 |
|---|---|
| Molecular Weight | 244.12 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 40.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 244.12119 |
| Heavy Atoms | 18 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 3451-88-5 |
|---|---|
| SMILES | CC(=O)N1C=CC(C=C1)C2C=CN(C=C2)C(=O)C |
| InChIKey | BODPPTYPIPEJTD-UHFFFAOYSA-N |
Product Overview
1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine (CAS 3451-88-5), with molecular formula C14H16N2O2 and molecular weight 244.12 g/mol. IUPAC: 1-[4-(1-acetyl-4H-pyridin-4-yl)-4H-pyridin-1-yl]ethanone.
Chemical Property Profile of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
Property Insights of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine. With a topological polar surface area (TPSA) of 40.6 Ų, 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine 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 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine?
The CAS number of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine is 3451-88-5.
What is the molecular formula of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine?
The molecular formula of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine is C14H16N2O2.
What is the molecular weight of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine?
The molecular weight of 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine is 244.12 g/mol.
Where can I buy 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine?
You can request a quote for 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Diacetyl-1,1',4,4'-tetrahydro-4,4'-bipyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.