CAS RN: 78318-00-0
3-PHENYL-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.20260303 | 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS78318-00-0
- Purity/Analytical Methods: >99.0%
78318-00-0 / 3-phenyl-1,2,3,4-tetrahydroisoquinoline
Basic Information
CAS
78318-00-0
Multi CAS
No
Molecular Formula
C15H15N
Molecular Weight
209.290000
Exact Mass
209.120449
InChI
InChI=1S/C15H15N/c1-2-6-12(7-3-1)15-10-13-8-4-5-9-14(13)11-16-15/h1-9,15-16H,10-11H2
InChIKey
RFLDHZLAQOBNRW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
66.17
TPSA
12.03
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
2.9
Consensus LogP
2.89
Log S (ESOL)
-3.56
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.81
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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