Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-
TL;DR: Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- (CAS 67239-26-3) is a chemical compound with molecular formula C12H17N3O and molecular weight 219.14 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-[1,2]oxazolo[5,4-d]pyrimidine
Also Known As: ISOXAZOLO(5,4-d)PYRIMIDINE, 6-tert-BUTYL-3-ISOPROPYL-, 6-tert-Butyl-3-isopropylisoxazolo[5,4-d]pyrimidine, 6-tert-butyl-3-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine, 6-tert-butyl-3-(propan-2-yl)-[1,2]oxazolo[5,4-d]pyrimidine, 6-tert-butyl-3-(propan-2-yl)[1,2]oxazolo[5,4-d]pyrimidine
| Molecular Formula | C12H17N3O |
|---|---|
| Molecular Weight | 219.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.13716 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 67239-26-3 |
|---|---|
| SMILES | CC(C)C1=NOC2=NC(=NC=C12)C(C)(C)C |
| InChIKey | RDDMWSDWKDYTNW-UHFFFAOYSA-N |
Product Overview
Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- (CAS 67239-26-3), with molecular formula C12H17N3O and molecular weight 219.14 g/mol. IUPAC: 6-tert-butyl-3-propan-2-yl-[1,2]oxazolo[5,4-d]pyrimidine.
Chemical Property Profile of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-
Property Insights of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-
The XLogP value of 3.2 indicates that Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- 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 Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-?
The CAS number of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- is 67239-26-3.
What is the molecular formula of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-?
The molecular formula of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- is C12H17N3O.
What is the molecular weight of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-?
The molecular weight of Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- is 219.14 g/mol.
Where can I buy Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-?
You can request a quote for Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl-?
Yes, KEHONG BIO provides custom synthesis services for Isoxazolo(5,4-d)pyrimidine, 6-tert-butyl-3-isopropyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.