1-Butyryl-1,2,3,6-tetrahydropyridine
TL;DR: 1-Butyryl-1,2,3,6-tetrahydropyridine (CAS 57150-46-6) is a chemical compound with molecular formula C9H15NO and molecular weight 153.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one
Also Known As: 1-Butyryl-1,2,3,6-tetrahydropyridine, 1-Butyryl-1,2,3,6-tetrahydropyridine #, 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one, 1-Butanone, 1-(3,6-dihydro-1(2H)-pyridinyl)-, Pyridine, 1,2,3,6-tetrahydro-1-(1-oxobutyl)-
| Molecular Formula | C9H15NO |
|---|---|
| Molecular Weight | 153.12 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 153.11537 |
| Heavy Atoms | 11 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 57150-46-6 |
|---|---|
| SMILES | CCCC(=O)N1CCC=CC1 |
| InChIKey | WDCQRYZVFWSXFI-UHFFFAOYSA-N |
Product Overview
1-Butyryl-1,2,3,6-tetrahydropyridine (CAS 57150-46-6), with molecular formula C9H15NO and molecular weight 153.12 g/mol. IUPAC: 1-(3,6-dihydro-2H-pyridin-1-yl)butan-1-one.
Chemical Property Profile of 1-Butyryl-1,2,3,6-tetrahydropyridine
Property Insights of 1-Butyryl-1,2,3,6-tetrahydropyridine
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butyryl-1,2,3,6-tetrahydropyridine. With a topological polar surface area (TPSA) of 20.3 Ų, 1-Butyryl-1,2,3,6-tetrahydropyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butyryl-1,2,3,6-tetrahydropyridine has 0 hydrogen bond donor(s) and 1 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-Butyryl-1,2,3,6-tetrahydropyridine?
The CAS number of 1-Butyryl-1,2,3,6-tetrahydropyridine is 57150-46-6.
What is the molecular formula of 1-Butyryl-1,2,3,6-tetrahydropyridine?
The molecular formula of 1-Butyryl-1,2,3,6-tetrahydropyridine is C9H15NO.
What is the molecular weight of 1-Butyryl-1,2,3,6-tetrahydropyridine?
The molecular weight of 1-Butyryl-1,2,3,6-tetrahydropyridine is 153.12 g/mol.
Where can I buy 1-Butyryl-1,2,3,6-tetrahydropyridine?
You can request a quote for 1-Butyryl-1,2,3,6-tetrahydropyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butyryl-1,2,3,6-tetrahydropyridine?
Yes, KEHONG BIO provides custom synthesis services for 1-Butyryl-1,2,3,6-tetrahydropyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.