![2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid structure](/static/products/1005/1005281-52-6.webp)
2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
TL;DR: 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid (CAS 1005281-52-6) is a chemical compound with molecular formula C20H13NO5S2 and molecular weight 411.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,15-dioxo-14-phenyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid
Also Known As: 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid, 2,6-dioxo-3-phenyl-2,3,5,5a,6,11b-hexahydrochromeno[4',3':4,5]thiopyrano[2,3-d]thiazole-5-carboxylic acid, 6,10-dioxo-9-phenyl-7H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chromane -7-carboxylic acid
| Molecular Formula | C20H13NO5S2 |
|---|---|
| Molecular Weight | 411.02 g/mol |
| LogP | 3.125 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 411.02353 |
| Heavy Atoms | 28 |
| Complexity | 1166.8392 |
Chemical Identifiers
| CAS Number | 1005281-52-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C3=C(C4C(C(S3)C(=O)O)C(=O)OC5=CC=CC=C45)SC2=O |
Product Overview
2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid (CAS 1005281-52-6), with molecular formula C20H13NO5S2 and molecular weight 411.02 g/mol. IUPAC: 9,15-dioxo-14-phenyl-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.02,7.013,17]heptadeca-2,4,6,13(17)-tetraene-11-carboxylic acid.
Chemical Property Profile of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
Property Insights of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid
The XLogP value of 3.125 indicates that 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid?
The CAS number of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid is 1005281-52-6.
What is the molecular formula of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid?
The molecular formula of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid is C20H13NO5S2.
What is the molecular weight of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid?
The molecular weight of 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid is 411.02 g/mol.
Where can I buy 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid?
You can request a quote for 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,6-dioxo-3-phenyl-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.