3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione
TL;DR: 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione (CAS 91078-33-0) is a chemical compound with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7-methylsulfanyl-1H-pteridine-2,4-dione
Also Known As: 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione, 3-methyl-7-methylsulfanyl-1H-pteridine-2,4-dione, AB-323/13887256
| Molecular Formula | C8H8N4O2S |
|---|---|
| Molecular Weight | 224.04 g/mol |
| LogP | -0.2613 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.0368 |
| Heavy Atoms | 15 |
| Complexity | 630.55475 |
Chemical Identifiers
| CAS Number | 91078-33-0 |
|---|---|
| SMILES | CN1C(=O)C2=NC=C(N=C2NC1=O)SC |
Product Overview
3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione (CAS 91078-33-0), with molecular formula C8H8N4O2S and molecular weight 224.04 g/mol. IUPAC: 3-methyl-7-methylsulfanyl-1H-pteridine-2,4-dione.
Chemical Property Profile of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione
Property Insights of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione
The XLogP value of -0.2613 indicates that 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione. Following Lipinski's Rule of Five, 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione has 1 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 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione?
The CAS number of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione is 91078-33-0.
What is the molecular formula of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione?
The molecular formula of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione is C8H8N4O2S.
What is the molecular weight of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione?
The molecular weight of 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione is 224.04 g/mol.
Where can I buy 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione?
You can request a quote for 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-7-(methylsulfanyl)-2,4(1H,3H)-pteridinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.