(E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
TL;DR: (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one (CAS 911052-96-5) is a chemical compound with molecular formula C14H11NO3 and molecular weight 241.07 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-(1H-pyrrol-2-yl)prop-2-en-1-one
Also Known As: J2.786.154G, VU0278875-2, (2E)-3-(2H-1,3-BENZODIOXOL-5-YL)-1-(1H-PYRROL-2-YL)PROP-2-EN-1-ONE, (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one, 3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
| Molecular Formula | C14H11NO3 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 2.6395 |
| Topological Polar Surface Area | 51.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 241.0739 |
| Heavy Atoms | 18 |
| Complexity | 599.5066 |
Chemical Identifiers
| CAS Number | 911052-96-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)C3=CC=CN3 |
Product Overview
(E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one (CAS 911052-96-5), with molecular formula C14H11NO3 and molecular weight 241.07 g/mol. IUPAC: (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.
Chemical Property Profile of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Property Insights of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
The XLogP value of 2.6395 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one. With a topological polar surface area (TPSA) of 51.32 Ų, (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one has 1 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 (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The CAS number of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is 911052-96-5.
What is the molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The molecular formula of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is C14H11NO3.
What is the molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
The molecular weight of (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one is 241.07 g/mol.
Where can I buy (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
You can request a quote for (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.