3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
TL;DR: 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide (CAS 91145-28-7) is a chemical compound with molecular formula C16H12O4S and molecular weight 300.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[(4-hydroxyphenyl)methylidene]-1,1-dioxothiochromen-4-one
Also Known As: AH-034/08465042, 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide, (3Z)-3-[(4-hydroxyphenyl)methylidene]-1,1-dioxothiochromen-4-one, 3-[(4-hydroxyphenyl)methylidene]-3,4-dihydro-2H-1lambda6-benzothiopyran-1,1,4-trione
| Molecular Formula | C16H12O4S |
|---|---|
| Molecular Weight | 300.05 g/mol |
| LogP | 2.4458 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 300.04562 |
| Heavy Atoms | 21 |
| Complexity | 846.10065 |
Chemical Identifiers
| CAS Number | 91145-28-7 |
|---|---|
| SMILES | C1/C(=C\C2=CC=C(C=C2)O)/C(=O)C3=CC=CC=C3S1(=O)=O |
Product Overview
3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide (CAS 91145-28-7), with molecular formula C16H12O4S and molecular weight 300.05 g/mol. IUPAC: (3Z)-3-[(4-hydroxyphenyl)methylidene]-1,1-dioxothiochromen-4-one.
Chemical Property Profile of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
Property Insights of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide
The XLogP value of 2.4458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide. Following Lipinski's Rule of Five, 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide has 1 hydrogen bond donor(s) and 4 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-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The CAS number of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is 91145-28-7.
What is the molecular formula of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The molecular formula of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is C16H12O4S.
What is the molecular weight of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
The molecular weight of 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide is 300.05 g/mol.
Where can I buy 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
You can request a quote for 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-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 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-hydroxybenzylidene)-2,3-dihydro-4H-thiochromen-4-one 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.