![2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one structure](/static/products/3129/312945-47-4.webp)
2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
TL;DR: 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one (CAS 312945-47-4) is a chemical compound with molecular formula C12H15NO2S and molecular weight 237.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one
Also Known As: ChemDiv1_004334, BAS 09807449, 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one, 2-tert-butyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one, 2-(tert-butyl)-5,6-dimethylthiopheno[2,3-d]1,3-oxazin-4-one
| Molecular Formula | C12H15NO2S |
|---|---|
| Molecular Weight | 237.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.08235 |
| Heavy Atoms | 16 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 312945-47-4 |
|---|---|
| SMILES | CC1=C(SC2=C1C(=O)OC(=N2)C(C)(C)C)C |
| InChIKey | JYQDAPUXFHTQHG-UHFFFAOYSA-N |
Product Overview
2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one (CAS 312945-47-4), with molecular formula C12H15NO2S and molecular weight 237.08 g/mol. IUPAC: 2-tert-butyl-5,6-dimethylthieno[2,3-d][1,3]oxazin-4-one.
Chemical Property Profile of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
Property Insights of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one
The XLogP value of 3.4 indicates that 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one. Following Lipinski's Rule of Five, 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-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 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one?
The CAS number of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one is 312945-47-4.
What is the molecular formula of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one?
The molecular formula of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one is C12H15NO2S.
What is the molecular weight of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one?
The molecular weight of 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one is 237.08 g/mol.
Where can I buy 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one?
You can request a quote for 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5,6-dimethyl-4H-thieno[2,3-d][1,3]oxazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.