4-Bromo-1,3-diphenylbut-2-en-1-one
TL;DR: 4-Bromo-1,3-diphenylbut-2-en-1-one (CAS 7462-71-7) is a chemical compound with molecular formula C16H13BrO and molecular weight 300.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1,3-diphenylbut-2-en-1-one
Also Known As: 4-bromo-1,3-diphenylbut-2-en-1-one, 4-bromo-1,3-diphenyl-2-buten-1-one, (Z)-4-bromo-1,3-diphenylbut-2-en-1-one, 2-Buten-1-one, 4-bromo-1,3-diphenyl-, (E)-
| Molecular Formula | C16H13BrO |
|---|---|
| Molecular Weight | 300.01 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.01498 |
| Heavy Atoms | 18 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 7462-71-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=CC(=O)C2=CC=CC=C2)CBr |
| InChIKey | GTWVKXCFFOTWRQ-UHFFFAOYSA-N |
Product Overview
4-Bromo-1,3-diphenylbut-2-en-1-one (CAS 7462-71-7), with molecular formula C16H13BrO and molecular weight 300.01 g/mol. IUPAC: 4-bromo-1,3-diphenylbut-2-en-1-one.
Chemical Property Profile of 4-Bromo-1,3-diphenylbut-2-en-1-one
Property Insights of 4-Bromo-1,3-diphenylbut-2-en-1-one
The XLogP value of 4.5 indicates that 4-Bromo-1,3-diphenylbut-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 17.1 Ų, 4-Bromo-1,3-diphenylbut-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-1,3-diphenylbut-2-en-1-one has 0 hydrogen bond donor(s) and 1 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-1,3-diphenylbut-2-en-1-one?
The CAS number of 4-Bromo-1,3-diphenylbut-2-en-1-one is 7462-71-7.
What is the molecular formula of 4-Bromo-1,3-diphenylbut-2-en-1-one?
The molecular formula of 4-Bromo-1,3-diphenylbut-2-en-1-one is C16H13BrO.
What is the molecular weight of 4-Bromo-1,3-diphenylbut-2-en-1-one?
The molecular weight of 4-Bromo-1,3-diphenylbut-2-en-1-one is 300.01 g/mol.
Where can I buy 4-Bromo-1,3-diphenylbut-2-en-1-one?
You can request a quote for 4-Bromo-1,3-diphenylbut-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 4-Bromo-1,3-diphenylbut-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1,3-diphenylbut-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.