CAS RN: 1229622-03-0
7-Methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-1-ol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250107 | 100mg | In stock | Shanghai | Inquiry |
- Product code: LINM905163
1229622-03-0 / 8-methoxy-2,3,4,5-tetrahydro-1H-3-benzazepin-5-ol
Basic Information
CAS
1229622-03-0
Multi CAS
No
Molecular Formula
C11H15NO2
Molecular Weight
193.240000
Exact Mass
193.110279
SMILES
COC1=CC2=C(C=C1)C(CNCC2)O
InChI
InChI=1S/C11H15NO2/c1-14-9-2-3-10-8(6-9)4-5-12-7-11(10)13/h2-3,6,11-13H,4-5,7H2,1H3
InChIKey
CJQZSNACIZWXEQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.45
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
54.53
TPSA
41.49
LogP / Solubility
WLOGP
0.87
MLOGP
0.77
XLogP3
0.6
Consensus LogP
0.75
Log S (ESOL)
-1.84
Class (ESOL)
Soluble
Log S (Ali)
-1.78
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.76
Class (SILICOS-IT)
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)
-3.28
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
