5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
TL;DR: 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 202063-67-0) is a chemical compound with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: NCIOpen2_005722, 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione, BAS 00393646, 5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(2-methoxybenzylidene)-2-thioxopyrimidine-4,6-dione
| Molecular Formula | C12H10N2O3S |
|---|---|
| Molecular Weight | 262.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 262.0412 |
| Heavy Atoms | 18 |
| Complexity | 398.0 |
Chemical Identifiers
| CAS Number | 202063-67-0 |
|---|---|
| SMILES | COC1=CC=CC=C1C=C2C(=O)NC(=S)NC2=O |
| InChIKey | LTLFWHGHBXCENB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione (CAS 202063-67-0), with molecular formula C12H10N2O3S and molecular weight 262.04 g/mol. IUPAC: 5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Property Insights of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione. Following Lipinski's Rule of Five, 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione has 2 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 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The CAS number of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 202063-67-0.
What is the molecular formula of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular formula of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is C12H10N2O3S.
What is the molecular weight of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
The molecular weight of 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione is 262.04 g/mol.
Where can I buy 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
You can request a quote for 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.