4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide
TL;DR: 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide (CAS 61448-81-5) is a chemical compound with molecular formula C21H20O5S and molecular weight 384.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dioxothian-4-one
Also Known As: 3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dioxothian-4-one, 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene), 3,5-bis(4-methoxybenzylidene)tetrahydro-4h-thiopyran-4-one 1,1-dioxide, 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide, tetrahydro-3,5-bis(4-methoxyphenylmethylene)-4H-thiopyran-4-one-1,1-dioxide
| Molecular Formula | C21H20O5S |
|---|---|
| Molecular Weight | 384.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.10315 |
| Heavy Atoms | 27 |
| Complexity | 633.0 |
Chemical Identifiers
| CAS Number | 61448-81-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C2CS(=O)(=O)CC(=CC3=CC=C(C=C3)OC)C2=O |
| InChIKey | NXXRLIAVYCJUJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide (CAS 61448-81-5), with molecular formula C21H20O5S and molecular weight 384.10 g/mol. IUPAC: 3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dioxothian-4-one.
Chemical Property Profile of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide
Property Insights of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide. The TPSA of 78.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide. Following Lipinski's Rule of Five, 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide has 0 hydrogen bond donor(s) and 5 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 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide?
The CAS number of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide is 61448-81-5.
What is the molecular formula of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide?
The molecular formula of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide is C21H20O5S.
What is the molecular weight of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide?
The molecular weight of 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide is 384.10 g/mol.
Where can I buy 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide?
You can request a quote for 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 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 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 4H-Thiopyran-4-one, tetrahydro-3,5-bis(p-methoxybenzylidene)-, 1,1-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.