![CAS 380192-76-7 2(1H)-Isoquinolineethanol, α-[[(4-chlorophenyl)methoxy]methyl]-3,4-dihydro- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380192-76-7.gif)
CAS RN: 380192-76-7
2(1H)-Isoquinolineethanol, α-[[(4-chlorophenyl)methoxy]methyl]-3,4-dihydro-
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.20250302 | 5mg / 10mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS380192-76-7
- Purity/Analytical Methods: >99.0%
380192-76-7 / 1-[(4-chlorophenyl)methoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol
Basic Information
CAS
380192-76-7
Multi CAS
No
Molecular Formula
C19H22CLNO2
Molecular Weight
331.800000
Exact Mass
331.133907
InChI
InChI=1S/C19H22ClNO2/c20-18-7-5-15(6-8-18)13-23-14-19(22)12-21-10-9-16-3-1-2-4-17(16)11-21/h1-8,19,22H,9-14H2
InChIKey
XFPRVFPKQLFJBJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
Fraction Csp3
0.37
Rotatable bonds
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
92.54
TPSA
32.7
LogP / Solubility
WLOGP
3.28
MLOGP
2.9
XLogP3
3.1
Consensus LogP
3.09
Log S (ESOL)
-3.95
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.65
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.26
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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![CAS 380230-02-4 (+)-N,N-BIS[(1S)-1-PHENYLETHYL]-DINAPHTHO[2,1-D:1′,2′-F][1,3,2]DIOXAPHOSPHEPIN-4-AMINE, (11BR) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/380230-02-4.gif)