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4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid
TL;DR: 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid (CAS 103253-99-2) is a chemical compound with molecular formula C12H7NO3S and molecular weight 245.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid
Also Known As: Thiopyrano[2, 4,9-dihydro-4-oxo-, NCI60_006974, 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid, 4-Oxo-4,9-dihydrothiopyrano[2,3-b]indole-2-carboxylic acid, 4-oxo-5H-thiopyrano[3,2-b]indole-2-carboxylic acid
| Molecular Formula | C12H7NO3S |
|---|---|
| Molecular Weight | 245.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 95.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.01466 |
| Heavy Atoms | 17 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 103253-99-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(N2)SC(=CC3=O)C(=O)O |
| InChIKey | VAGDWNGTSHOBML-UHFFFAOYSA-N |
Product Overview
4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid (CAS 103253-99-2), with molecular formula C12H7NO3S and molecular weight 245.01 g/mol. IUPAC: 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid.
Chemical Property Profile of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid
Property Insights of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid. Following Lipinski's Rule of Five, 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid 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-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid?
The CAS number of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid is 103253-99-2.
What is the molecular formula of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid?
The molecular formula of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid is C12H7NO3S.
What is the molecular weight of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid?
The molecular weight of 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid is 245.01 g/mol.
Where can I buy 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid?
You can request a quote for 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-9H-thiopyrano[2,3-b]indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.