5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide
TL;DR: 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide (CAS 84965-60-6) is a chemical compound with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methyl-13-oxa-9λ6,17-dithia-8,12-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,14-hexaene 9,9-dioxide
Also Known As: 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide, 5-Methyl-11H-4lambda~6~-[1,2]oxazolo[3',4':4,5]thiopyrano[3,2-c][2,1]benzothiazine-4,4(5H)-dione, 8-Methyl-13-oxa-9lambda6,17-dithia-8,12-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,14-hexaene 9,9-dioxide
| Molecular Formula | C13H10N2O3S2 |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 306.01328 |
| Heavy Atoms | 20 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 84965-60-6 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C3=C(S1(=O)=O)C4=NOC=C4CS3 |
| InChIKey | RAFZBYQDYKZMEF-UHFFFAOYSA-N |
Product Overview
5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide (CAS 84965-60-6), with molecular formula C13H10N2O3S2 and molecular weight 306.01 g/mol. IUPAC: 8-methyl-13-oxa-9λ6,17-dithia-8,12-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(10),2,4,6,11,14-hexaene 9,9-dioxide.
Chemical Property Profile of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide
Property Insights of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide. Following Lipinski's Rule of Five, 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide 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 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide?
The CAS number of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide is 84965-60-6.
What is the molecular formula of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide?
The molecular formula of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide is C13H10N2O3S2.
What is the molecular weight of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide?
The molecular weight of 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide is 306.01 g/mol.
Where can I buy 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide?
You can request a quote for 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-5H,11H-isoxazolothiopyranobenzothiazine 4,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.