![5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one structure](/static/products/1313/13130-47-7.webp)
5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
TL;DR: 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 13130-47-7) is a chemical compound with molecular formula C11H11NO2S and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one
Also Known As: ChemDiv1_006102, 5,6,7,8-tetrahydro-2-methyl-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one, 2-Methyl-5,6,7,8-tetrahydro-4H-[1]benzothieno[2,3-d][1,3]oxazin-4-one, 2-Methyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, J1.244.361G
| Molecular Formula | C11H11NO2S |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.05106 |
| Heavy Atoms | 15 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 13130-47-7 |
|---|---|
| SMILES | CC1=NC2=C(C3=C(S2)CCCC3)C(=O)O1 |
| InChIKey | MSLWJDFZJOUINW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one (CAS 13130-47-7), with molecular formula C11H11NO2S and molecular weight 221.05 g/mol. IUPAC: 2-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
Property Insights of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one. Following Lipinski's Rule of Five, 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one has 0 hydrogen bond donor(s) and 4 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-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The CAS number of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 13130-47-7.
What is the molecular formula of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular formula of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is C11H11NO2S.
What is the molecular weight of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
The molecular weight of 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one is 221.05 g/mol.
Where can I buy 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
You can request a quote for 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-4-oxa-8-thia-6-azatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),5-trien-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.