![6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole structure](/static/products/6945/6945-12-6.webp)
6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole
TL;DR: 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole (CAS 6945-12-6) is a chemical compound with molecular formula C16H19NO4S2 and molecular weight 353.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methoxy-4-methylsulfanyl-12-phenyl-8,11,13-trioxa-5-thia-3-azatricyclo[7.4.0.02,6]tridec-3-ene
Also Known As: 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole, 7-Methoxy-4-methylsulfanyl-12-phenyl-8,11,13-trioxa-5-thia-3-azatricyclo[7.4.0.02,6]tridec-3-ene
| Molecular Formula | C16H19NO4S2 |
|---|---|
| Molecular Weight | 353.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 99.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.07556 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 6945-12-6 |
|---|---|
| SMILES | COC1C2C(C3C(O1)COC(O3)C4=CC=CC=C4)N=C(S2)SC |
| InChIKey | DNIOCGBCRQMMIX-UHFFFAOYSA-N |
Product Overview
6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole (CAS 6945-12-6), with molecular formula C16H19NO4S2 and molecular weight 353.08 g/mol. IUPAC: 7-methoxy-4-methylsulfanyl-12-phenyl-8,11,13-trioxa-5-thia-3-azatricyclo[7.4.0.02,6]tridec-3-ene.
Chemical Property Profile of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole
Property Insights of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole. The TPSA of 99.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole. Following Lipinski's Rule of Five, 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole has 0 hydrogen bond donor(s) and 7 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 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole?
The CAS number of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole is 6945-12-6.
What is the molecular formula of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole?
The molecular formula of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole is C16H19NO4S2.
What is the molecular weight of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole?
The molecular weight of 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole is 353.08 g/mol.
Where can I buy 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole?
You can request a quote for 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Methoxy-8-(methylsulfanyl)-2-phenyl-4,4a,6,6a,9a,9b-hexahydro-2H-[1,3]dioxino[4',5':5,6]pyrano[4,3-d][1,3]thiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.