![4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one structure](/static/products/116/1164463-65-3.png)
4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
TL;DR: 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one (CAS 1164463-65-3) is a chemical compound with molecular formula C18H15BrClNO2 and molecular weight 391.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
Also Known As: 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one, AP-355/42579250, 4-bromo-2-[3-(4-chlorophenyl)acryloyl]-7-(ethylamino)-2,4,6-cycloheptatrien-1-one, (E)-4-Bromo-2-(3-(4-chlorophenyl)acryloyl)-7-(ethylamino)cyclohepta-2,4,6-trien-1-one, 4-bromo-2-[(E)-3-(4-chlorophenyl)acryloyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
| Molecular Formula | C18H15BrClNO2 |
|---|---|
| Molecular Weight | 391.00 g/mol |
| LogP | 4.7906 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 390.99747 |
| Heavy Atoms | 23 |
| Complexity | 800.9916 |
Chemical Identifiers
| CAS Number | 1164463-65-3 |
|---|---|
| SMILES | CCNC1=CC=C(C=C(C1=O)C(=O)/C=C/C2=CC=C(C=C2)Cl)Br |
Product Overview
4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one (CAS 1164463-65-3), with molecular formula C18H15BrClNO2 and molecular weight 391.00 g/mol. IUPAC: 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one.
Chemical Property Profile of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
Property Insights of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one
The XLogP value of 4.7906 indicates that 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.17 Ų, 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-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 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The CAS number of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one is 1164463-65-3.
What is the molecular formula of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The molecular formula of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one is C18H15BrClNO2.
What is the molecular weight of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one?
The molecular weight of 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one is 391.00 g/mol.
Where can I buy 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one?
You can request a quote for 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-7-(ethylamino)cyclohepta-2,4,6-trien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.