![1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one structure](/static/products/6453/64530-36-5.webp)
1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one
TL;DR: 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one (CAS 64530-36-5) is a chemical compound with molecular formula C17H21NO and molecular weight 255.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-benzyl-5-propan-2-yl-4H-pyridin-3-yl)ethanone
Also Known As: 1-(1-benzyl-5-propan-2-yl-4H-pyridin-3-yl)ethanone, 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one, ETHANONE,1-[1,4-DIHYDRO-5-(1-METHYLETHYL)-1-(PHENYLMETHYL)-3-PYRIDINYL]-
| Molecular Formula | C17H21NO |
|---|---|
| Molecular Weight | 255.16 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 255.16231 |
| Heavy Atoms | 19 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 64530-36-5 |
|---|---|
| SMILES | CC(C)C1=CN(C=C(C1)C(=O)C)CC2=CC=CC=C2 |
| InChIKey | HTFKFHQKDAEWNV-UHFFFAOYSA-N |
Product Overview
1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one (CAS 64530-36-5), with molecular formula C17H21NO and molecular weight 255.16 g/mol. IUPAC: 1-(1-benzyl-5-propan-2-yl-4H-pyridin-3-yl)ethanone.
Chemical Property Profile of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one
Property Insights of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one. With a topological polar surface area (TPSA) of 20.3 Ų, 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-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-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one?
The CAS number of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one is 64530-36-5.
What is the molecular formula of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one?
The molecular formula of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one is C17H21NO.
What is the molecular weight of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one?
The molecular weight of 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one is 255.16 g/mol.
Where can I buy 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one?
You can request a quote for 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-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-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-Benzyl-5-(propan-2-yl)-1,4-dihydropyridin-3-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.