CAS RN: 125941-87-9
SCH 23390 HCl
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251203 | 5mg / 10mg / 25mg / 50mg | Confirm by inquiry | Shandong, Hebei | 5-7 business days | Inquiry |
- Product code: LINS891662
125941-87-9 / (5R)-8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol;hydrochloride
Basic Information
CAS
125941-87-9
Multi CAS
No
Molecular Formula
C17H19Cl2NO
Molecular Weight
324.200000
Exact Mass
323.084370
SMILES
CN1CCC2=CC(=C(C=C2[C@H](C1)C3=CC=CC=C3)O)Cl.Cl
InChI
InChI=1S/C17H18ClNO.ClH/c1-19-8-7-13-9-16(18)17(20)10-14(13)15(11-19)12-5-3-2-4-6-12;/h2-6,9-10,15,20H,7-8,11H2,1H3;1H/t15-;/m1./s1
InChIKey
OYCAEWMSOPMASE-XFULWGLBSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
1
Molar refractivity
89.85
TPSA
23.47
LogP / Solubility
WLOGP
4.09
MLOGP
3.61
XLogP3
4.09
Consensus LogP
3.93
Log S (ESOL)
-4.78
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.17
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.28
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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