![7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid structure](/static/products/858/858747-14-5.png)
7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
TL;DR: 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid (CAS 858747-14-5) is a chemical compound with molecular formula C11H13NO3S and molecular weight 239.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-oxo-5,8-dihydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
Also Known As: 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid, 2-hydroxy-7,7-dimethyl-7,8-dihydro-5H-thiopyrano[4,3-b]pyridine-3-carboxylic acid, 3,3-dimethyl-9-oxo-4-thia-10-azabicyclo[4.4.0]deca-7,11-diene-8-carboxylic Acid, 7,7-dimethyl-2-oxo-1H,2H,5H,7H,8H-thiopyrano[4,3-b]pyridine-3-carboxylic acid, 7,7-dimethyl-2-oxo-5,8-dihydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
| Molecular Formula | C11H13NO3S |
|---|---|
| Molecular Weight | 239.06 g/mol |
| LogP | 1.641 |
| Topological Polar Surface Area | 70.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 239.06161 |
| Heavy Atoms | 16 |
| Complexity | 504.4414 |
Chemical Identifiers
| CAS Number | 858747-14-5 |
|---|---|
| SMILES | CC1(CC2=C(CS1)C=C(C(=O)N2)C(=O)O)C |
Product Overview
7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid (CAS 858747-14-5), with molecular formula C11H13NO3S and molecular weight 239.06 g/mol. IUPAC: 7,7-dimethyl-2-oxo-5,8-dihydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid.
Chemical Property Profile of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
Property Insights of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid
The XLogP value of 1.641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid. The TPSA of 70.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid. Following Lipinski's Rule of Five, 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid has 2 hydrogen bond donor(s) and 3 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 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid?
The CAS number of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid is 858747-14-5.
What is the molecular formula of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid?
The molecular formula of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid is C11H13NO3S.
What is the molecular weight of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid?
The molecular weight of 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid is 239.06 g/mol.
Where can I buy 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid?
You can request a quote for 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-2-oxo-2,5,7,8-tetrahydro-1H-thiopyrano[4,3-b]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.