3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone
TL;DR: 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone (CAS 18451-59-7) is a chemical compound with molecular formula C15H11NO3 and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one
Also Known As: 3-BENZO(1,3)DIOXOL-5-YL-1-PYRIDIN-3-YL-PROPENONE, 3-(1,3-benzodioxol-5-yl)-1-(3-pyridinyl)-2-propen-1-one, (2E)-3-(1,3-benzodioxol-5-yl)-1-(pyridin-3-yl)prop-2-en-1-one, (E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one, (E)-3-(benzo[d][1,3]dioxol-5-yl)-1-(pyridin-3-yl)prop-2-en-1-one
| Molecular Formula | C15H11NO3 |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 2.7064 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.0739 |
| Heavy Atoms | 19 |
| Complexity | 635.0939 |
Chemical Identifiers
| CAS Number | 18451-59-7 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CN=CC=C3 |
Product Overview
3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone (CAS 18451-59-7), with molecular formula C15H11NO3 and molecular weight 253.07 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-pyridin-3-ylprop-2-en-1-one.
Chemical Property Profile of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone
Property Insights of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone
The XLogP value of 2.7064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone. With a topological polar surface area (TPSA) of 48.42 Ų, 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone has 0 hydrogen bond donor(s) and 4 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 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone?
The CAS number of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone is 18451-59-7.
What is the molecular formula of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone?
The molecular formula of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone is C15H11NO3.
What is the molecular weight of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone?
The molecular weight of 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone is 253.07 g/mol.
Where can I buy 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone?
You can request a quote for 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzo(1,3)dioxol-5-YL-1-pyridin-3-YL-propenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.