trans-4-Bromo-4'-(methylthio)chalcone
TL;DR: trans-4-Bromo-4'-(methylthio)chalcone (CAS 126443-22-9) is a chemical compound with molecular formula C16H13BrOS and molecular weight 331.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one
Also Known As: NBCGUIAAUUHYHP-NYYWCZLTSA-, trans-4-Bromo-4'-(methylthio)chalcone, 4 -(Methylthio)-4-bromochalcone, (E)-4-Bromo-4 -methylthiochalcone, (2E)-3-(4-bromophenyl)-1-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
| Molecular Formula | C16H13BrOS |
|---|---|
| Molecular Weight | 331.99 g/mol |
| LogP | 5.0671 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.98706 |
| Heavy Atoms | 19 |
| Complexity | 585.15094 |
Chemical Identifiers
| CAS Number | 126443-22-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)Br |
Product Overview
trans-4-Bromo-4'-(methylthio)chalcone (CAS 126443-22-9), with molecular formula C16H13BrOS and molecular weight 331.99 g/mol. IUPAC: (E)-3-(4-bromophenyl)-1-(4-methylsulfanylphenyl)prop-2-en-1-one.
Chemical Property Profile of trans-4-Bromo-4'-(methylthio)chalcone
Property Insights of trans-4-Bromo-4'-(methylthio)chalcone
The XLogP value of 5.0671 indicates that trans-4-Bromo-4'-(methylthio)chalcone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, trans-4-Bromo-4'-(methylthio)chalcone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4-Bromo-4'-(methylthio)chalcone has 0 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 trans-4-Bromo-4'-(methylthio)chalcone?
The CAS number of trans-4-Bromo-4'-(methylthio)chalcone is 126443-22-9.
What is the molecular formula of trans-4-Bromo-4'-(methylthio)chalcone?
The molecular formula of trans-4-Bromo-4'-(methylthio)chalcone is C16H13BrOS.
What is the molecular weight of trans-4-Bromo-4'-(methylthio)chalcone?
The molecular weight of trans-4-Bromo-4'-(methylthio)chalcone is 331.99 g/mol.
Where can I buy trans-4-Bromo-4'-(methylthio)chalcone?
You can request a quote for trans-4-Bromo-4'-(methylthio)chalcone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4-Bromo-4'-(methylthio)chalcone?
Yes, KEHONG BIO provides custom synthesis services for trans-4-Bromo-4'-(methylthio)chalcone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.