4-benzylidene-1,1-dioxo-2,3-dihydro-1
TL;DR: 4-benzylidene-1,1-dioxo-2,3-dihydro-1 (CAS 40322-51-8) is a chemical compound with molecular formula C17H14O3S and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylidene-1,1-dioxo-2,3-dihydro-1λ6-benzothiepin-5-one
Also Known As: 4-benzylidene-1,1-dioxo-2,3-dihydro-1, (4E)-4-benzylidene-1,1-dioxo-2,3-dihydro-1lambda6-benzothiepin-5-, 1,1-Dioxo-4-[1-phenyl-methylidene]-1,2,3,4-tetrahydro-1I>>6-benzo[b]thiepin-5-one
| Molecular Formula | C17H14O3S |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.06638 |
| Heavy Atoms | 21 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 40322-51-8 |
|---|---|
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C(=O)C1=CC3=CC=CC=C3 |
| InChIKey | UUQMMJMDAHVZLU-UHFFFAOYSA-N |
Product Overview
4-benzylidene-1,1-dioxo-2,3-dihydro-1 (CAS 40322-51-8), with molecular formula C17H14O3S and molecular weight 298.07 g/mol. IUPAC: 4-benzylidene-1,1-dioxo-2,3-dihydro-1λ6-benzothiepin-5-one.
Chemical Property Profile of 4-benzylidene-1,1-dioxo-2,3-dihydro-1
Property Insights of 4-benzylidene-1,1-dioxo-2,3-dihydro-1
The XLogP value of 3.1 indicates that 4-benzylidene-1,1-dioxo-2,3-dihydro-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, 4-benzylidene-1,1-dioxo-2,3-dihydro-1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-benzylidene-1,1-dioxo-2,3-dihydro-1 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 4-benzylidene-1,1-dioxo-2,3-dihydro-1?
The CAS number of 4-benzylidene-1,1-dioxo-2,3-dihydro-1 is 40322-51-8.
What is the molecular formula of 4-benzylidene-1,1-dioxo-2,3-dihydro-1?
The molecular formula of 4-benzylidene-1,1-dioxo-2,3-dihydro-1 is C17H14O3S.
What is the molecular weight of 4-benzylidene-1,1-dioxo-2,3-dihydro-1?
The molecular weight of 4-benzylidene-1,1-dioxo-2,3-dihydro-1 is 298.07 g/mol.
Where can I buy 4-benzylidene-1,1-dioxo-2,3-dihydro-1?
You can request a quote for 4-benzylidene-1,1-dioxo-2,3-dihydro-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-benzylidene-1,1-dioxo-2,3-dihydro-1?
Yes, KEHONG BIO provides custom synthesis services for 4-benzylidene-1,1-dioxo-2,3-dihydro-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.