![methyl(dioxo)[?]one structure](/static/products/849/84965-40-2.png)
methyl(dioxo)[?]one
TL;DR: methyl(dioxo)[?]one (CAS 84965-40-2) is a chemical compound with molecular formula C15H13NO3S3 and molecular weight 351.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-methyl-18,18-dioxo-3,9,18λ6-trithia-17-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15-pentaen-6-one
Also Known As: methyl(dioxo)[?]one, SODIUM 2-ACETAMIDO-5-CHLOROBENZENESULFONATE, 6-Methyl-2,3,6,12-tetrahydro-1H-thiopyrano(2',3':4,5)thiopyrano(3,2-c)(2,1)benzothiazin-1-one 5,5-dioxide, 6-methyl-1-oxo-2,3-dihydro-1H,6H,12H-thiopyranothiopyranoben, 1H-Thiopyrano[2',3':4,5]thiopyrano[3,2-c][2,1]benzothiazin-1-one,2,3,6,12-tetrahydro-6-methyl-, 5,5-dioxide
| Molecular Formula | C15H13NO3S3 |
|---|---|
| Molecular Weight | 351.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.00577 |
| Heavy Atoms | 22 |
| Complexity | 702.0 |
Chemical Identifiers
| CAS Number | 84965-40-2 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C(S1(=O)=O)C4=C(CS3)C(=O)CCS4 |
| InChIKey | KXYYMLPHKFRBIK-UHFFFAOYSA-N |
Product Overview
methyl(dioxo)[?]one (CAS 84965-40-2), with molecular formula C15H13NO3S3 and molecular weight 351.01 g/mol. IUPAC: 17-methyl-18,18-dioxo-3,9,18λ6-trithia-17-azatetracyclo[8.8.0.02,7.011,16]octadeca-1(10),2(7),11,13,15-pentaen-6-one.
Chemical Property Profile of methyl(dioxo)[?]one
Property Insights of methyl(dioxo)[?]one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl(dioxo)[?]one. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl(dioxo)[?]one. Following Lipinski's Rule of Five, methyl(dioxo)[?]one 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(dioxo)[?]one?
The CAS number of methyl(dioxo)[?]one is 84965-40-2.
What is the molecular formula of methyl(dioxo)[?]one?
The molecular formula of methyl(dioxo)[?]one is C15H13NO3S3.
What is the molecular weight of methyl(dioxo)[?]one?
The molecular weight of methyl(dioxo)[?]one is 351.01 g/mol.
Where can I buy methyl(dioxo)[?]one?
You can request a quote for methyl(dioxo)[?]one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl(dioxo)[?]one?
Yes, KEHONG BIO provides custom synthesis services for methyl(dioxo)[?]one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.