![3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one structure](/static/products/803/80348-02-3.png)
3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one
TL;DR: 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one (CAS 80348-02-3) is a chemical compound with molecular formula C15H16BrNO3 and molecular weight 337.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one
Also Known As: 3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one, 3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-, 3-{[2-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)ETHYL]AMINO}CYCLOHEX-2-EN-1-ONE
| Molecular Formula | C15H16BrNO3 |
|---|---|
| Molecular Weight | 337.03 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.03137 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 80348-02-3 |
|---|---|
| SMILES | C1CC(=CC(=O)C1)NCCC2=CC3=C(C=C2Br)OCO3 |
| InChIKey | YHZYJZMFIDOSHZ-UHFFFAOYSA-N |
Product Overview
3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one (CAS 80348-02-3), with molecular formula C15H16BrNO3 and molecular weight 337.03 g/mol. IUPAC: 3-[2-(6-bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one.
Chemical Property Profile of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one
Property Insights of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one
The XLogP value of 3.1 indicates that 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-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 47.6 Ų, 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one has 1 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 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one?
The CAS number of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one is 80348-02-3.
What is the molecular formula of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one?
The molecular formula of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one is C15H16BrNO3.
What is the molecular weight of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one?
The molecular weight of 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one is 337.03 g/mol.
Where can I buy 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one?
You can request a quote for 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-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 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(6-Bromo-1,3-benzodioxol-5-yl)ethylamino]cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.