![3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one structure](/static/products/6080/6080-40-6.webp)
3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one
TL;DR: 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one (CAS 6080-40-6) is a chemical compound with molecular formula C16H13BrClNO and molecular weight 348.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromo-3-chloroanilino)-1-phenylbut-2-en-1-one
Also Known As: 3-[(4-bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one, (E)-3-(4-bromo-3-chloroanilino)-1-phenylbut-2-en-1-one, (2E)-3-(4-Bromo-3-chloroanilino)-1-phenylbut-2-en-1-one
| Molecular Formula | C16H13BrClNO |
|---|---|
| Molecular Weight | 348.99 g/mol |
| LogP | 5.3011 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.9869 |
| Heavy Atoms | 20 |
| Complexity | 652.7814 |
Chemical Identifiers
| CAS Number | 6080-40-6 |
|---|---|
| SMILES | C/C(=C\C(=O)C1=CC=CC=C1)/NC2=CC(=C(C=C2)Br)Cl |
Product Overview
3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one (CAS 6080-40-6), with molecular formula C16H13BrClNO and molecular weight 348.99 g/mol. IUPAC: (E)-3-(4-bromo-3-chloroanilino)-1-phenylbut-2-en-1-one.
Chemical Property Profile of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one
Property Insights of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one
The XLogP value of 5.3011 indicates that 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.1 Ų, 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one?
The CAS number of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one is 6080-40-6.
What is the molecular formula of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one?
The molecular formula of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one is C16H13BrClNO.
What is the molecular weight of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one?
The molecular weight of 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one is 348.99 g/mol.
Where can I buy 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one?
You can request a quote for 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-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-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Bromo-3-chlorophenyl)amino]-1-phenyl-2-buten-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.