![CAS 936829-00-4 2-[(TERT-BUTOXY)CARBONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID(WX142476) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/936829-00-4.gif)
CAS RN: 936829-00-4
2-[(TERT-BUTOXY)CARBONYL]-1,2,3,4-TETRAHYDROISOQUINOLINE-4-CARBOXYLIC ACID(WX142476)
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.20250714 | 50mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS936829-00-4
- Purity/Analytical Methods: >99.0%
936829-00-4 / 2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
Basic Information
CAS
936829-00-4
Multi CAS
No
Molecular Formula
C15H19NO4
Molecular Weight
277.310000
Exact Mass
277.131408
InChI
InChI=1S/C15H19NO4/c1-15(2,3)20-14(19)16-8-10-6-4-5-7-11(10)12(9-16)13(17)18/h4-7,12H,8-9H2,1-3H3,(H,17,18)
InChIKey
WMNIWMKVBYZQNH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
6
Fraction Csp3
0.47
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.46
TPSA
66.84
LogP / Solubility
WLOGP
2.61
MLOGP
2.3
XLogP3
1.9
Consensus LogP
2.27
Log S (ESOL)
-3.36
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.72
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.75
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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