(E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
TL;DR: (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one (CAS 302574-17-0) is a chemical compound with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
Also Known As: BIM-0008736.P001, (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one, F3095-2363, (2E)-1-(AZEPAN-1-YL)-3-(3-BROMO-4-METHOXYPHENYL)PROP-2-EN-1-ONE, 1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C16H20BrNO2 |
|---|---|
| Molecular Weight | 337.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.06775 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 302574-17-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)N2CCCCCC2)Br |
| InChIKey | UPRWYTVDTJJMAV-VQHVLOKHSA-N |
Product Overview
(E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one (CAS 302574-17-0), with molecular formula C16H20BrNO2 and molecular weight 337.07 g/mol. IUPAC: (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one.
Chemical Property Profile of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
Property Insights of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one
The XLogP value of 3.7 indicates that (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one has 0 hydrogen bond donor(s) and 2 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)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one?
The CAS number of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one is 302574-17-0.
What is the molecular formula of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one?
The molecular formula of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one is C16H20BrNO2.
What is the molecular weight of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one?
The molecular weight of (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one is 337.07 g/mol.
Where can I buy (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one?
You can request a quote for (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)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)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(azepan-1-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.