![4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one structure](/static/products/1008/100856-85-7.webp)
4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one
TL;DR: 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one (CAS 100856-85-7) is a chemical compound with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-sulfanylidene-1H-pyrano[2,3-d]pyrimidine-4,7-dione
Also Known As: 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one, 5-methyl-2-sulfanylidene-1H-pyrano[2,3-d]pyrimidine-4,7-dione, 2-mercapto-5-methyl-3h-pyrano[2,3-d]pyrimidine-4,7-dione, 4-hydroxy-5-methyl-2-sulfanyl-7H-pyrano[2,3-d]pyrimidin-7-one
| Molecular Formula | C8H6N2O3S |
|---|---|
| Molecular Weight | 210.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 99.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 210.00992 |
| Heavy Atoms | 14 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 100856-85-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C(=O)NC(=S)N2 |
| InChIKey | KSKVORJZAARSNB-UHFFFAOYSA-N |
Product Overview
4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one (CAS 100856-85-7), with molecular formula C8H6N2O3S and molecular weight 210.01 g/mol. IUPAC: 5-methyl-2-sulfanylidene-1H-pyrano[2,3-d]pyrimidine-4,7-dione.
Chemical Property Profile of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one
Property Insights of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one
The XLogP value of -0.3 indicates that 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one. Following Lipinski's Rule of Five, 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one 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 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one?
The CAS number of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one is 100856-85-7.
What is the molecular formula of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one?
The molecular formula of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one is C8H6N2O3S.
What is the molecular weight of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one?
The molecular weight of 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one is 210.01 g/mol.
Where can I buy 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one?
You can request a quote for 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2-mercapto-5-methyl-7H-pyrano[2,3-d]pyrimidin-7-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.