CAS RN: 848135-96-6
7-Bromo-3-methyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride
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.20250811 | 25mg / 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS848135-96-6
- Purity/Analytical Methods: >99.0%
848135-96-6 / 7-bromo-3-methyl-1,2,3,4-tetrahydroisoquinoline;hydrochloride
Basic Information
CAS
848135-96-6
Multi CAS
Yes
Molecular Formula
C10H13BRCLN
Molecular Weight
262.570000
Exact Mass
260.991990
InChI
InChI=1S/C10H12BrN.ClH/c1-7-4-8-2-3-10(11)5-9(8)6-12-7;/h2-3,5,7,12H,4,6H2,1H3;1H
InChIKey
WRVLUERSOKOVSZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
61.4
TPSA
12.03
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
2.91
Consensus LogP
2.79
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.81
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.78
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)
-2.26
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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