![CAS 1402851-53-9 1-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402851-53-9.gif)
CAS RN: 1402851-53-9
1-[(4R)-4-tert-Butyl-4,5-dihydro-2-oxazolyl]isoquinoline
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.20250310 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1402851-53-9
- Purity/Analytical Methods: >99.0%
1402851-53-9 / (4R)-4-tert-butyl-2-isoquinolin-1-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
1402851-53-9
Multi CAS
No
Molecular Formula
C16H18N2O
Molecular Weight
254.330000
Exact Mass
254.141913
SMILES
CC(C)(C)[C@@H]1COC(=N1)C2=NC=CC3=CC=CC=C32
InChI
InChI=1S/C16H18N2O/c1-16(2,3)13-10-19-15(18-13)14-12-7-5-4-6-11(12)8-9-17-14/h4-9,13H,10H2,1-3H3/t13-/m0/s1
InChIKey
YFSNGZCIVOUXHS-ZDUSSCGKSA-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
3.7
Consensus LogP
3.38
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
-
R-3,3′-bis(3,5-bis(trifluoroMethyl)phenyl)-5,5′,6,6′,7,7′,8,8′-octahydro-1,1′-bi-2,2′-naphthol
- CAS RN: 1402852-05-4
- Product Code: starshine_CAS1402852-05-4
- Purity/Analytical method: >99.0%
-
4-Isoquinolinol, 7-bromo-
- CAS RN: 1402886-92-3
- Product Code: starshine_CAS1402886-92-3
- Purity/Analytical method: >99.0%
-
methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate
- CAS RN: 1402911-36-7
- Product Code: starshine_CAS1402911-36-7
- Purity/Analytical method: >99.0%
-
4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methyl-1-oxobutyl]amino]-cyclopropyl-(S)-Benzenepropanoic acid
- CAS RN: 1402936-61-1
- Product Code: SSC-050864
-
4-Piperidinecarboxylic acid, 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-[(2-methoxyethoxy)methyl]-
- CAS RN: 1403232-33-6
- Product Code: starshine_CAS1403232-33-6
- Purity/Analytical method: >99.0%
-
1-(4-aminopyridin-2-yl)azetidin-3-ol
- CAS RN: 1403248-75-8
- Product Code: starshine_CAS1403248-75-8
- Purity/Analytical method: >99.0%
![CAS 1402911-36-7 methyl 5-chloroH-imidazo[1,2-a]pyridine-8-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402911-36-7.gif)
![CAS 1402936-61-1 4-chloro-3-[[(2S,3R)-2-(4-chlorophenyl)-4,4,4-trifluoro-3-methyl-1-oxobutyl]amino]-cyclopropyl-(S)-Benzenepropanoic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1402936-61-1.gif)
![CAS 1403232-33-6 4-Piperidinecarboxylic acid, 1-[[4-[5-[3-chloro-4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]-4-[(2-methoxyethoxy)methyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1403232-33-6.gif)
