CAS RN: 1220694-87-0
8-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
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.20250201 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1220694-87-0
- Purity/Analytical Methods: >99.0%
1220694-87-0 / 8-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
1220694-87-0
Multi CAS
No
Molecular Formula
C10H12BrNO
Molecular Weight
242.110000
Exact Mass
241.010230
SMILES
COC1=CC2=C(CNCC2)C(=C1)Br
InChI
InChI=1S/C10H12BrNO/c1-13-8-4-7-2-3-12-6-9(7)10(11)5-8/h4-5,12H,2-3,6H2,1H3
InChIKey
DUSBODFYCJJZET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
56.1
TPSA
21.26
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.06
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.1
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)
-2.7
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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