3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one
TL;DR: 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one (CAS 101001-10-9) is a chemical compound with molecular formula C16H11BrOS and molecular weight 329.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-bromophenyl)methylidene]thiochromen-4-one
Also Known As: 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one, (3Z)-3-[(4-bromophenyl)methylidene]thiochromen-4-one, AJ-091/40652530
| Molecular Formula | C16H11BrOS |
|---|---|
| Molecular Weight | 329.97 g/mol |
| LogP | 4.8211 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 329.9714 |
| Heavy Atoms | 19 |
| Complexity | 658.7041 |
Chemical Identifiers
| CAS Number | 101001-10-9 |
|---|---|
| SMILES | C1/C(=C\C2=CC=C(C=C2)Br)/C(=O)C3=CC=CC=C3S1 |
Product Overview
3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one (CAS 101001-10-9), with molecular formula C16H11BrOS and molecular weight 329.97 g/mol. IUPAC: (3Z)-3-[(4-bromophenyl)methylidene]thiochromen-4-one.
Chemical Property Profile of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one
Property Insights of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one
The XLogP value of 4.8211 indicates that 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one has 0 hydrogen bond donor(s) and 2 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-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one?
The CAS number of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one is 101001-10-9.
What is the molecular formula of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one?
The molecular formula of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one is C16H11BrOS.
What is the molecular weight of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one?
The molecular weight of 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one is 329.97 g/mol.
Where can I buy 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one?
You can request a quote for 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-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-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-bromobenzylidene)-2,3-dihydro-4H-thiochromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.