![CAS 2089310-17-6 tert-butyl 6-bromo-2-oxospiro[indoline-3,3-pyrrolidine]-1-carboxylate(WX106483) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089310-17-6.png)
CAS RN: 2089310-17-6
tert-butyl 6-bromo-2-oxospiro[indoline-3,3-pyrrolidine]-1-carboxylate(WX106483)
- Product code: SSC-098262
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: ≥95%
- 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 | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
2089310-17-6 / tert-butyl 6-bromo-2-oxospiro[1H-indole-3,3'-pyrrolidine]-1'-carboxylate
Basic Information
CAS
2089310-17-6
Multi CAS
No
Molecular Formula
C16H19BrN2O3
Molecular Weight
367.240000
Exact Mass
366.057910
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)C3=C(C=C(C=C3)Br)NC2=O
InChI
InChI=1S/C16H19BrN2O3/c1-15(2,3)22-14(21)19-7-6-16(9-19)11-5-4-10(17)8-12(11)18-13(16)20/h4-5,8H,6-7,9H2,1-3H3,(H,18,20)
InChIKey
LBJXRVWVJVXJBC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
86.87
TPSA
58.64
LogP / Solubility
WLOGP
3.28
MLOGP
2.91
XLogP3
2.3
Consensus LogP
2.83
Log S (ESOL)
-4.38
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.94
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.77
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
2-Amino-6-bromonicotinamide
- CAS RN: 2089310-41-6
- Product Code: starshine_CAS2089310-41-6
- Purity/Analytical method: >99.0%
-
Pyridine, 2-(cyclopropyloxy)-5-iodo-
- CAS RN: 2089310-96-1
- Product Code: starshine_CAS2089310-96-1
- Purity/Analytical method: >99.0%
-
5-Bromo-4-chloro-2-(trifluoromethyl)quinazoline
- CAS RN: 2089311-03-3
- Product Code: starshine_CAS2089311-03-3
- Purity/Analytical method: >99.0%
-
3H-Imidazo[4,5-b]pyridine, 5,7-dichloro-2-(trifluoromethyl)-
- CAS RN: 2089311-29-3
- Product Code: SSC-098266
-
3-bromo-4-chloro-5-methoxy-N-methylbenzamide
- CAS RN: 2089311-47-5
- Product Code: SSC-098267
-
AOH1160
- CAS RN: 2089314-57-6
- Product Code: starshine_CAS2089314-57-6
- Purity/Analytical method: >99.0%
![CAS 2089311-29-3 3H-Imidazo[4,5-b]pyridine, 5,7-dichloro-2-(trifluoromethyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2089311-29-3.png)
