(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
TL;DR: (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one (CAS 1429221-68-0) is a chemical compound with molecular formula C16H12BrNO3 and molecular weight 345.00006 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
Also Known As: BAS 01357743, US11905258, Example 1-22818, AB00101681-01, (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one, (Z)-1-(benzo[d][1,3]dioxol-5-yl)-3-((2-bromophenyl)amino)prop-2-en-1-one
Technical Specifications
| Molecular Formula | C16H12BrNO3 |
| Molecular Weight | 345.00006 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.00006 Da |
| Heavy Atoms | 21 |
| Complexity | 401.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)/C=C\NC3=CC=CC=C3Br |
| InChIKey | RDSREUCDDPLFPK-FPLPWBNLSA-N |
Chemical Property Profile of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
Property Insights of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one
The XLogP value of 4.4 indicates that (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)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 47.6 Ų, (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-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
What is the CAS number of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one?
The CAS number of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one is 1429221-68-0.
What is the molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one?
The molecular formula of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one is C16H12BrNO3.
What is the molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one?
The molecular weight of (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one is 345.00006 g/mol.
Where can I buy (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one?
You can request a quote for (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one?
Yes, CoreyChem provides custom synthesis services for (Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)prop-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.