![3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one structure](/static/products/6144/61448-77-9.webp)
3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one
TL;DR: 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one (CAS 61448-77-9) is a chemical compound with molecular formula C21H20O3S and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis[(4-methoxyphenyl)methylidene]thian-4-one
Also Known As: 3,5-bis[(4-methoxyphenyl)methylidene]thian-4-one, 3,5-bis(4-methoxybenzylidene)tetrahydro-4H-thiopyran-4-one, tetrahydro-3,5-bis-(4-methoxyphenyl-methylene)-4H-thiopyran-4-one, tetrahydro-3,5-bis-[(4-methoxyphenyl)methylene]-4H-thiopyran-4-one
| Molecular Formula | C21H20O3S |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 60.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 352.1133 |
| Heavy Atoms | 25 |
| Complexity | 465.0 |
Chemical Identifiers
| CAS Number | 61448-77-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C=C2CSCC(=CC3=CC=C(C=C3)OC)C2=O |
| InChIKey | JNRJHGLBAWJZGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one (CAS 61448-77-9), with molecular formula C21H20O3S and molecular weight 352.11 g/mol. IUPAC: 3,5-bis[(4-methoxyphenyl)methylidene]thian-4-one.
Chemical Property Profile of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one
Property Insights of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one
The XLogP value of 4.2 indicates that 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one. Following Lipinski's Rule of Five, 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one has 0 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 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one?
The CAS number of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one is 61448-77-9.
What is the molecular formula of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one?
The molecular formula of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one is C21H20O3S.
What is the molecular weight of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one?
The molecular weight of 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one is 352.11 g/mol.
Where can I buy 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one?
You can request a quote for 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis[(4-methoxyphenyl)methylidene]thian-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.