![CAS 2070868-78-7 Pyrimidine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2070868-78-7.png)
CAS RN: 2070868-78-7
Pyrimidine, 2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260331 | 100mg | In stock | Shanghai, Shenzhen, Tianjin, Wuhan | Inquiry | |
| Batchno.20250805 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260118 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250302 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250112 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2070868-78-7
- Purity/Analytical Methods: >99.0%
2070868-78-7 / (4S)-4-tert-butyl-2-pyrimidin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2070868-78-7
Multi CAS
No
Molecular Formula
C11H15N3O
Molecular Weight
205.260000
Exact Mass
205.121512
SMILES
CC(C)(C)[C@H]1COC(=N1)C2=NC=CC=N2
InChI
InChI=1S/C11H15N3O/c1-11(2,3)8-7-15-10(14-8)9-12-5-4-6-13-9/h4-6,8H,7H2,1-3H3/t8-/m1/s1
InChIKey
BJVQEWQRCMCVLE-MRVPVSSYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
57.76
TPSA
47.37
LogP / Solubility
WLOGP
1.67
MLOGP
1.47
XLogP3
1.8
Consensus LogP
1.65
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.45
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.5
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.79
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
2,2,2-Trifluoro-1-(2-oxazolyl)-1,1-ethanediol
- CAS RN: 2070896-38-5
- Product Code: SSC-097484
-
-
3-Hydroxy-5-(trifluoromethyl)-2,3-dihydrobenzothiophene 1,1-Dioxide
- CAS RN: 2070896-47-6
- Product Code: SSC-097493
-
Methyl 6-Bromo-2,3-dihydrobenzofuran-3-acetate
- CAS RN: 2070896-49-8
- Product Code: SSC-097495
-
Methyl 1,4-Oxazepane-2-carboxylate Hydrochloride
- CAS RN: 2070896-56-7
- Product Code: SSC-097502
-
