CAS RN: 2634687-57-1
(R)-4-(tert-Butyl)-2-(quinolin-2-yl)-4,5-dihydrooxazole
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250416 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS2634687-57-1
- Purity/Analytical Methods: >99.0%
2634687-57-1 / 4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2634687-57-1
Multi CAS
No
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
SMILES
CC(C)(C)C1COC(=N1)C2=NC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H18N2O/c1-16(2,3)14-10-19-15(18-14)13-9-8-11-6-4-5-7-12(11)17-13/h4-9,14H,10H2,1-3H3
InChIKey
ZECIAWBAXVMXKI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
10
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
77.48
TPSA
34.48
LogP / Solubility
WLOGP
3.43
MLOGP
3.02
XLogP3
3.8
Consensus LogP
3.42
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.12
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.84
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
Customers Also Viewed
-
(S)-4-Cyclohexyl-2-(2-(diphenylphosphanyl)phenyl)-4,5-dihydrooxazole
- CAS RN: 2634687-58-2
- Product Code: starshine_CAS2634687-58-2
- Purity/Analytical method: >99.0%
-
(S)-4-Isopropyl-2-(pyrimidin-2-yl)-4,5-dihydrooxazole
- CAS RN: 2634687-59-3
- Product Code: SSC-123775
-
Benzo[1,2-b:5,4-b’]difuran, 8-[(3S)-3-(1,1-dimethylethyl)-2,3-dihydro-1,3-benzoxaphosphol-4-yl]-
- CAS RN: 2634687-60-6
- Product Code: starshine_CAS2634687-60-6
- Purity/Analytical method: >99.0%
-
(S)-4-Isopropyl-2-(1,8-naphthyridin-2-yl)-4,5-dihydrooxazole
- CAS RN: 2634687-62-8
- Product Code: starshine_CAS2634687-62-8
- Purity/Analytical method: >99.0%
-
Oxazole, 2,2′-cyclohexylidenebis[4,5-dihydro-4,5-diphenyl-, (4S,4’S,5R,5’R)-
- CAS RN: 2634687-63-9
- Product Code: SSC-123776
-
(S)-4-Benzyl-2-(2-chloro-6-(diphenylphosphino)phenyl)-4,5-dihydrooxazole
- CAS RN: 2634687-64-0
- Product Code: starshine_CAS2634687-64-0
- Purity/Analytical method: >99.0%
![CAS 2634687-60-6 Benzo[1,2-b:5,4-b’]difuran, 8-[(3S)-3-(1,1-dimethylethyl)-2,3-dihydro-1,3-benzoxaphosphol-4-yl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2634687-60-6.gif)
