![CAS 64411-74-1 N-[(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE)METHYL]-BENZAMIDE, 97%(HPLC) molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/64411-74-1.png)
CAS RN: 64411-74-1
N-[(1,2,3,4-TETRAHYDRO-1-ISOQUINOLINE)METHYL]-BENZAMIDE, 97%(HPLC)
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.20250118 | 200mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINN926833
64411-74-1 / N-(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)benzamide
Basic Information
CAS
64411-74-1
Multi CAS
No
Molecular Formula
C17H18N2O
Molecular Weight
266.340000
Exact Mass
266.141913
InChI
InChI=1S/C17H18N2O/c20-17(14-7-2-1-3-8-14)19-12-16-15-9-5-4-6-13(15)10-11-18-16/h1-9,16,18H,10-12H2,(H,19,20)
InChIKey
NAFKORXBGRILHW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
2
Molar refractivity
79.66
TPSA
41.13
LogP / Solubility
WLOGP
2.3
MLOGP
2.03
XLogP3
2.3
Consensus LogP
2.21
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.41
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.71
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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