2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione
TL;DR: 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione (CAS 49581-13-7) is a chemical compound with molecular formula C14H14N2O5S and molecular weight 322.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione
Also Known As: Maybridge1_002639, DivK1c_001391, CDS1_000351, BAS 00343675, NCI60_030387
| Molecular Formula | C14H14N2O5S |
|---|---|
| Molecular Weight | 322.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.06235 |
| Heavy Atoms | 22 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 49581-13-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C=C2C(=O)NC(=S)NC2=O |
| InChIKey | JYGYCTPQBYBIMS-UHFFFAOYSA-N |
Product Overview
2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione (CAS 49581-13-7), with molecular formula C14H14N2O5S and molecular weight 322.06 g/mol. IUPAC: 2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione.
Chemical Property Profile of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione
Property Insights of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione. Following Lipinski's Rule of Five, 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione has 2 hydrogen bond donor(s) and 6 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 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione?
The CAS number of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione is 49581-13-7.
What is the molecular formula of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione?
The molecular formula of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione is C14H14N2O5S.
What is the molecular weight of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione?
The molecular weight of 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione is 322.06 g/mol.
Where can I buy 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione?
You can request a quote for 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Thioxo-5-(3,4,5-trimethoxybenzylidene)hexahydropyrimidine-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.