![6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one structure](/static/products/5804/58045-26-4.webp)
6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
TL;DR: 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one (CAS 58045-26-4) is a chemical compound with molecular formula C12H19N3OS and molecular weight 253.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-tert-butyl-3-propan-2-yl-6,7-dihydro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one
Also Known As: 6-tert-Butyl-3-isopropyl-4,5,6,7-tetrahydroisothiazolo(5,4-d)pyrimidin-4-one, 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one, 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo(5,4-d)pyrimidin-4(5H)-one, 6-tert-butyl-3-propan-2-yl-5,6-dihydro-2H-[1,2]thiazolo[5,4-, 6-tert-butyl-3-isopropyl-6,7-dihydro-5H-isothiazolo[5,4-d]pyrimidin-4-one
| Molecular Formula | C12H19N3OS |
|---|---|
| Molecular Weight | 253.12 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 82.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.12488 |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 58045-26-4 |
|---|---|
| SMILES | CC(C)C1=NSC2=C1C(=O)NC(N2)C(C)(C)C |
| InChIKey | VIRHBOCOABUCDD-UHFFFAOYSA-N |
Product Overview
6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one (CAS 58045-26-4), with molecular formula C12H19N3OS and molecular weight 253.12 g/mol. IUPAC: 6-tert-butyl-3-propan-2-yl-6,7-dihydro-5H-[1,2]thiazolo[5,4-d]pyrimidin-4-one.
Chemical Property Profile of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
Property Insights of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one
The XLogP value of 3.4 indicates that 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one. Following Lipinski's Rule of Five, 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one has 2 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 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one?
The CAS number of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one is 58045-26-4.
What is the molecular formula of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one?
The molecular formula of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one is C12H19N3OS.
What is the molecular weight of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one?
The molecular weight of 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one is 253.12 g/mol.
Where can I buy 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one?
You can request a quote for 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-tert-Butyl-3-isopropyl-6,7-dihydroisothiazolo[5,4-d]pyrimidin-4(5H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.