5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
TL;DR: 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 353473-13-9) is a chemical compound with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
Also Known As: 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione, 5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione, 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C12H9ClN2O4S |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 0.9685 |
| Topological Polar Surface Area | 87.66 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.99716 |
| Heavy Atoms | 20 |
| Complexity | 635.10254 |
Chemical Identifiers
| CAS Number | 353473-13-9 |
|---|---|
| SMILES | COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)NC2=O)Cl)O |
Product Overview
5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione (CAS 353473-13-9), with molecular formula C12H9ClN2O4S and molecular weight 312.00 g/mol. IUPAC: 5-[(3-chloro-4-hydroxy-5-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione.
Chemical Property Profile of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Property Insights of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
The XLogP value of 0.9685 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. The TPSA of 87.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione. Following Lipinski's Rule of Five, 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione has 3 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 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The CAS number of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 353473-13-9.
What is the molecular formula of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular formula of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is C12H9ClN2O4S.
What is the molecular weight of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
The molecular weight of 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione is 312.00 g/mol.
Where can I buy 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
You can request a quote for 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chloro-4-hydroxy-5-methoxybenzylidene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.