CAS RN: 885269-25-0
6′-Bromo-2′,3′-dihydro-1’H-spiro[cyclopropane-1,4′-isoquinoline
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260314 | 5g | Out of stock | Inquiry |
- Product code: starshine_CAS885269-25-0
- Purity/Analytical Methods: >99.0%
885269-25-0 / 6-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane]
Basic Information
CAS
885269-25-0
Multi CAS
No
Molecular Formula
BC11H12Rn
Molecular Weight
238.120000
Exact Mass
237.015310
InChI
InChI=1S/C11H12BrN/c12-9-2-1-8-6-13-7-11(3-4-11)10(8)5-9/h1-2,5,13H,3-4,6-7H2
InChIKey
KKZSOCJYXQWVDQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.45
H-bond acceptors
1
H-bond donors
1
Molar refractivity
56.76
TPSA
12.03
LogP / Solubility
WLOGP
2.58
MLOGP
2.28
XLogP3
2.3
Consensus LogP
2.39
Log S (ESOL)
-3.29
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.38
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.35
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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