3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
TL;DR: 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one (CAS 1429049-47-7) is a chemical compound with molecular formula C13H10BrNO and molecular weight 274.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one
Also Known As: 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one, AB01315195-02, (E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one, AF-399/41753356, (2E)-3-(3-bromophenyl)-1-pyrrol-2-ylprop-2-en-1-one
| Molecular Formula | C13H10BrNO |
|---|---|
| Molecular Weight | 274.99 g/mol |
| LogP | 3.6733 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.99457 |
| Heavy Atoms | 16 |
| Complexity | 514.4887 |
Chemical Identifiers
| CAS Number | 1429049-47-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)/C=C/C(=O)C2=CC=CN2 |
Product Overview
3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one (CAS 1429049-47-7), with molecular formula C13H10BrNO and molecular weight 274.99 g/mol. IUPAC: (E)-3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one.
Chemical Property Profile of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
Property Insights of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one
The XLogP value of 3.6733 indicates that 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one has 1 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 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one?
The CAS number of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one is 1429049-47-7.
What is the molecular formula of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one?
The molecular formula of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one is C13H10BrNO.
What is the molecular weight of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one?
The molecular weight of 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one is 274.99 g/mol.
Where can I buy 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one?
You can request a quote for 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-bromophenyl)-1-(1H-pyrrol-2-yl)-2-propen-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.