![CAS 889139-52-0 SPIRO[ISOQUINOLINE-4(4H),4′-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889139-52-0.gif)
CAS RN: 889139-52-0
SPIRO[ISOQUINOLINE-4(4H),4′-PIPERIDINE]-2(3H)-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER MONOHYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
5 package records2 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251206 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20260307 | 1g | Out of stock | Inquiry | ||
| Batchno.20260502 | 250mg | Out of stock | Inquiry | ||
| Batchno.20260129 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250505 | 50mg / 100mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS889139-52-0
- Purity/Analytical Methods: >99.0%
889139-52-0 / tert-butyl spiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-carboxylate;hydrochloride
Basic Information
CAS
889139-52-0
Multi CAS
No
Molecular Formula
C18H27CLN2O2
Molecular Weight
338.900000
Exact Mass
338.176106
InChI
InChI=1S/C18H26N2O2.ClH/c1-17(2,3)22-16(21)20-12-14-6-4-5-7-15(14)18(13-20)8-10-19-11-9-18;/h4-7,19H,8-13H2,1-3H3;1H
InChIKey
VZPJVDIMBQBNBX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.61
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
94.12
TPSA
41.57
LogP / Solubility
WLOGP
3.48
MLOGP
3.08
XLogP3
3.48
Consensus LogP
3.35
Log S (ESOL)
-4.33
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.85
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.75
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
No
Log Kp (skin permeation)
-2.32
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3.5
Customers Also Viewed
-
-
-
3,4-Dihydro-7-(4-hydroxybutoxy)-2(1H)-quinolinone
- CAS RN: 889443-20-3
- Product Code: starshine_CAS889443-20-3
- Purity/Analytical method: >99.0%
-
S-(-)-[1-(3-Methoxyphenyl)ethyl]-N,N-diMethylaMine
- CAS RN: 889443-69-0
- Product Code: starshine_CAS889443-69-0
- Purity/Analytical method: >99.0%
-
-
![CAS 889443-69-0 S-(-)-[1-(3-Methoxyphenyl)ethyl]-N,N-diMethylaMine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889443-69-0.gif)
![CAS 889447-19-2 2-chloro-5H-pyrrolo[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889447-19-2.gif)
![CAS 889447-20-5 2-Chloro-7-iodo-5H-pyrrolo[2,3-b]pyrazine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/889447-20-5.gif)