![7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione structure](/static/products/879/879562-58-0.png)
7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
TL;DR: 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione (CAS 879562-58-0) is a chemical compound with molecular formula C13H9ClN2O3S and molecular weight 308.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-3-methyl-2-methylsulfanylchromeno[2,3-d]pyrimidine-4,5-dione
Also Known As: 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione, 7-chloro-3-methyl-2-methylsulfanylchromeno[2,3-d]pyrimidine-4,5-dione, 7-chloro-3-methyl-2-(methylsulfanyl)-4H-chromeno[2,3-d]pyrimidine-4,5(3H)-dione
| Molecular Formula | C13H9ClN2O3S |
|---|---|
| Molecular Weight | 308.00 g/mol |
| LogP | 2.4152 |
| Topological Polar Surface Area | 65.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.00223 |
| Heavy Atoms | 20 |
| Complexity | 961.6211 |
Chemical Identifiers
| CAS Number | 879562-58-0 |
|---|---|
| SMILES | CN1C(=O)C2=C(N=C1SC)OC3=C(C2=O)C=C(C=C3)Cl |
Product Overview
7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione (CAS 879562-58-0), with molecular formula C13H9ClN2O3S and molecular weight 308.00 g/mol. IUPAC: 7-chloro-3-methyl-2-methylsulfanylchromeno[2,3-d]pyrimidine-4,5-dione.
Chemical Property Profile of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
Property Insights of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione
The XLogP value of 2.4152 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione. The TPSA of 65.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione. Following Lipinski's Rule of Five, 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione 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 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione?
The CAS number of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione is 879562-58-0.
What is the molecular formula of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione?
The molecular formula of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione is C13H9ClN2O3S.
What is the molecular weight of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione?
The molecular weight of 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione is 308.00 g/mol.
Where can I buy 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione?
You can request a quote for 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-3-methyl-2-(methylthio)-3H-chromeno[2,3-d]pyrimidine-4,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.