![11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid structure](/static/products/1164/1164559-93-6.webp)
11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid
TL;DR: 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid (CAS 1164559-93-6) is a chemical compound with molecular formula C15H11NO5S2 and molecular weight 349.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-methyl-9,15-dioxo-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: 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid, 5-methyl-2,6-dioxo-3,5a,6,11b-tetrahydro-2H,5H-chromeno[4',3':4,5]thiopyrano[2,3-d][1,3]thiazole-5-carboxylic acid, 7-methyl-6,10-dioxo-9H,11bH,6aH-1,3-thiazolino[5',4'-6,5]thiino[3,4-c]chromane -7-carboxylic acid
| Molecular Formula | C15H11NO5S2 |
|---|---|
| Molecular Weight | 349.01 g/mol |
| LogP | 2.0525 |
| Topological Polar Surface Area | 96.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.00787 |
| Heavy Atoms | 23 |
| Complexity | 901.26733 |
Chemical Identifiers
| CAS Number | 1164559-93-6 |
|---|---|
| SMILES | CC1(C2C(C3=CC=CC=C3OC2=O)C4=C(S1)NC(=O)S4)C(=O)O |
Product Overview
11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid (CAS 1164559-93-6), with molecular formula C15H11NO5S2 and molecular weight 349.01 g/mol. IUPAC: 11-methyl-9,15-dioxo-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 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid
Property Insights of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid
The XLogP value of 2.0525 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid. The TPSA of 96.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid. Following Lipinski's Rule of Five, 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid has 2 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 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid?
The CAS number of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid is 1164559-93-6.
What is the molecular formula of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid?
The molecular formula of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid is C15H11NO5S2.
What is the molecular weight of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid?
The molecular weight of 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid is 349.01 g/mol.
Where can I buy 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid?
You can request a quote for 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 11-methyl-9,15-dioxo-8-oxa-12,16-dithia-14-azatetracyclo[8.7.0.0^{2,7}.0^{13,17}]heptadeca-2(7),3,5,13(17)-tetraene-11-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.