6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one
TL;DR: 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one (CAS 690214-36-9) is a chemical compound with molecular formula C20H16BrNO3 and molecular weight 397.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]chromen-2-one
Also Known As: 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one, F0919-6477, (E)-6-bromo-3-(3-(4-(dimethylamino)phenyl)acryloyl)-2H-chromen-2-one, 6-bromo-3-[(E)-3-(4-dimethylaminophenyl)prop-2-enoyl]chromen-2-one, 6-bromo-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]chromen-2-one
| Molecular Formula | C20H16BrNO3 |
|---|---|
| Molecular Weight | 397.03 g/mol |
| LogP | 4.5176 |
| Topological Polar Surface Area | 50.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 397.03137 |
| Heavy Atoms | 25 |
| Complexity | 1017.2859 |
Chemical Identifiers
| CAS Number | 690214-36-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O |
Product Overview
6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one (CAS 690214-36-9), with molecular formula C20H16BrNO3 and molecular weight 397.03 g/mol. IUPAC: 6-bromo-3-[(E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]chromen-2-one.
Chemical Property Profile of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one
Property Insights of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one
The XLogP value of 4.5176 indicates that 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.52 Ų, 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one 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 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one?
The CAS number of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one is 690214-36-9.
What is the molecular formula of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one?
The molecular formula of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one is C20H16BrNO3.
What is the molecular weight of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one?
The molecular weight of 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one is 397.03 g/mol.
Where can I buy 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one?
You can request a quote for 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-3-[(2E)-3-[4-(dimethylamino)phenyl]prop-2-enoyl]-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.