![(E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide structure](/static/products/813/81326-73-0.png)
(E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide
TL;DR: (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide (CAS 81326-73-0) is a chemical compound with molecular formula C17H13BrO3S and molecular weight 375.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(4-bromophenyl)methylidene]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepin-5-one
Also Known As: (4E)-4-[(4-bromophenyl)methylidene]-1,1-dioxo-2,3-dihydro-1, (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide
| Molecular Formula | C17H13BrO3S |
|---|---|
| Molecular Weight | 375.98 g/mol |
| LogP | 3.8928 |
| Topological Polar Surface Area | 51.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 375.97687 |
| Heavy Atoms | 22 |
| Complexity | 865.032 |
Chemical Identifiers
| CAS Number | 81326-73-0 |
|---|---|
| SMILES | C\1CS(=O)(=O)C2=CC=CC=C2C(=O)/C1=C/C3=CC=C(C=C3)Br |
Product Overview
(E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide (CAS 81326-73-0), with molecular formula C17H13BrO3S and molecular weight 375.98 g/mol. IUPAC: (4E)-4-[(4-bromophenyl)methylidene]-1,1-dioxo-2,3-dihydro-1λ6-benzothiepin-5-one.
Chemical Property Profile of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide
Property Insights of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide
The XLogP value of 3.8928 indicates that (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.21 Ų, (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide has 0 hydrogen bond donor(s) and 3 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 (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide?
The CAS number of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide is 81326-73-0.
What is the molecular formula of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide?
The molecular formula of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide is C17H13BrO3S.
What is the molecular weight of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide?
The molecular weight of (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide is 375.98 g/mol.
Where can I buy (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide?
You can request a quote for (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-(4-bromobenzylidene)-3,4-dihydrobenzo[b]thiepin-5(2H)-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.