![CAS 2246335-51-1 Quinoline, 2-[4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246335-51-1.gif)
CAS RN: 2246335-51-1
Quinoline, 2-[4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-
- Product code: SSC-109709
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Beijing | Inquiry |
2246335-51-1 / 4-tert-butyl-2-quinolin-2-yl-4,5-dihydro-1,3-oxazole
Basic Information
CAS
2246335-51-1
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
-
8-Chloro-7-fluoro-6-iodoisoquinolin-3-amine
- CAS RN: 2246363-09-5
- Product Code: SSC-109711
-
(2-chloro-3-fluoro-4-iodophenyl)methanamine
- CAS RN: 2246363-11-9
- Product Code: SSC-109712
-
1H-Pyrido[2,3-b][1,4]oxazine-1-carboxylic acid, 2,3-dihydro-8-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester
- CAS RN: 2246363-82-4
- Product Code: SSC-109713
-
tert-butyl 7-bromo-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate
- CAS RN: 2246363-84-6
- Product Code: SSC-109714
-
2-Bromo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one
- CAS RN: 2246364-68-9
- Product Code: SSC-109716
-
3-methyl-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidine-1-carboxamide
- CAS RN: 2246397-38-4
- Product Code: starshine_CAS2246397-38-4
- Purity/Analytical method: >99.0%
![CAS 2246363-82-4 1H-Pyrido[2,3-b][1,4]oxazine-1-carboxylic acid, 2,3-dihydro-8-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, 1,1-dimethylethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246363-82-4.gif)
![CAS 2246363-84-6 tert-butyl 7-bromo-8-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazine-1-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246363-84-6.gif)
![CAS 2246364-68-9 2-Bromo-4,5,6,8-tetrahydropyrazolo[1,5-d][1,4]diazepin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2246364-68-9.gif)
