![methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate structure](/static/products/893/893780-81-9.png)
methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
TL;DR: methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate (CAS 893780-81-9) is a chemical compound with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(8,14,14-trioxo-14λ6-thia-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-15-yl)acetate
Also Known As: methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate, A4146/0176653, methyl 2-(3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
| Molecular Formula | C17H12N2O5S |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 1.1607 |
| Topological Polar Surface Area | 93.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.0467 |
| Heavy Atoms | 25 |
| Complexity | 1072.1958 |
Chemical Identifiers
| CAS Number | 893780-81-9 |
|---|---|
| SMILES | COC(=O)CN1N=C2C3=CC=CC=C3C(=O)C4=C2C(=CC=C4)S1(=O)=O |
Product Overview
methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate (CAS 893780-81-9), with molecular formula C17H12N2O5S and molecular weight 356.05 g/mol. IUPAC: methyl 2-(8,14,14-trioxo-14λ6-thia-15,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12-heptaen-15-yl)acetate.
Chemical Property Profile of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
Property Insights of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate
The XLogP value of 1.1607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate. The TPSA of 93.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate. Following Lipinski's Rule of Five, methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate has 0 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 methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate?
The CAS number of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate is 893780-81-9.
What is the molecular formula of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate?
The molecular formula of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate is C17H12N2O5S.
What is the molecular weight of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate?
The molecular weight of methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate is 356.05 g/mol.
Where can I buy methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate?
You can request a quote for methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3,3-dioxido-7-oxoanthra[9,1-de][1,2,3]thiadiazin-2(7H)-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.