![CAS 895525-73-2 Tert-Butyl6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4′-piperidine]-1′-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/895525-73-2.gif)
CAS RN: 895525-73-2
Tert-Butyl6-bromo-4H-spiro[benzo[d][1,3]dioxine-2,4′-piperidine]-1′-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250125 | 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS895525-73-2
- Purity/Analytical Methods: >99.0%
895525-73-2 / tert-butyl 6-bromospiro[4H-1,3-benzodioxine-2,4'-piperidine]-1'-carboxylate
Basic Information
CAS
895525-73-2
Multi CAS
No
Molecular Formula
BC17H22O4Rn
Molecular Weight
384.300000
Exact Mass
383.073220
InChI
InChI=1S/C17H22BrNO4/c1-16(2,3)23-15(20)19-8-6-17(7-9-19)21-11-12-10-13(18)4-5-14(12)22-17/h4-5,10H,6-9,11H2,1-3H3
InChIKey
YKOKNSPJTCUZOQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.59
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
89.33
TPSA
48
LogP / Solubility
WLOGP
4.09
MLOGP
3.62
XLogP3
3.4
Consensus LogP
3.7
Log S (ESOL)
-4.99
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.66
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.16
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3.5
Customers Also Viewed
-
6,8-DIFLUORO-1,2,3,4-TETRAHYDRONAPHTHALEN-1-ONE
- CAS RN: 895534-38-0
- Product Code: SSC-201555
-
Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2’R,5R,5’R)-1,1′-(1,2-ethanediyl)bis[2,5-bis(1-methylethyl)phospholane-κP]]-, tetrafluoroborate(1-) (9CI)
- CAS RN: 895541-38-5
- Product Code: starshine_CAS895541-38-5
- Purity/Analytical method: >99.0%
-
Trifarotene
- CAS RN: 895542-09-3
- Product Code: starshine_CAS895542-09-3
- Purity/Analytical method: >99.0%
-
[3-tert-Butyl-4-(pyrrolidino)phenyl]boronic acid
- CAS RN: 895543-00-7
- Product Code: SSC-201556
-
-
5-Methyl-3-(piperidin-3-yl)-1,2,4-oxadiazole hydrochloride
- CAS RN: 895572-60-8
- Product Code: starshine_CAS895572-60-8
- Purity/Analytical method: >99.0%
![CAS 895541-38-5 Rhodium(1+), [(1,2,5,6-η)-1,5-cyclooctadiene][(2R,2’R,5R,5’R)-1,1′-(1,2-ethanediyl)bis[2,5-bis(1-methylethyl)phospholane-κP]]-, tetrafluoroborate(1-) (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/895541-38-5.gif)
![CAS 895543-00-7 [3-tert-Butyl-4-(pyrrolidino)phenyl]boronic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/895543-00-7.gif)
